Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39606
- Core Entity Id
- 75121
- Source Entity Count
- 1
- Preferred Name
- 1-methyl-1h-pyrimidine-2,4-dione
- Name En
- Pubchem Id
- 12009
- Smiles Canonical
- CN1C=CC(=O)NC1=O
- Molecular Formula
- C5H6N2O2
- Molecular Weight
- 126.1150
- Inchikey
- XBCXJKGHPABGSD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
- Isomeric Smiles
- CN1C=CC(=O)NC1=O
- Cas Id
- Ob Score
- Mol Logp
- -0.9264
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1- methyl- 1H- pyrimidine- 2、4- dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-methyl-1h-pyrimidine-2,4-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-methyl-1h-pyrimidine-2,4-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-METHYLURACIL
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-METHYLURACIL
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-2,4(1H,3H)-pyrimidinedione
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-2,4(1H,3H)-pyrimidinedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methylpyrimidine-2,4(1H,3H)-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylpyrimidine-2,4(1H,3H)-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methylpyrimidine-2,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylpyrimidine-2,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, 1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, 1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
615-77-0
Role
alias
Source
HERB_v2
Preferred
No
Name
615-77-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00038666
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00038666
Role
alias
Source
HERB_v2
Preferred
No
Name
N1-METHYLURACIL
Role
alias
Source
HERB_v2
Preferred
No
Name
N1-METHYLURACIL
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 44432
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 44432
Role
alias
Source
itcmdb_public
Preferred
No
Name
Uracil, 1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Uracil, 1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1- methyl- 1H- pyrimidine- 2、4- dione1-METHYLURACIL1-Methyl-2,4(1H,3H)-pyrimidinedione1-methylpyrimidine-2,4(1H,3H)-dione1-methylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-methyl-615-77-0MFCD00038666N1-METHYLURACILNSC 44432Uracil, 1-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002721HBIN002722
Npass
NPC103069
Tcmid
3917039667
Pub Chem
12009
Tcmbank
TCMBANKIN061294
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
Mol Wt
126.115
Smiles
CN1C=CC(=O)NC1=O
Mol Log P
-0.9264000000000001
In Ch Ikey
XBCXJKGHPABGSD-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.488
Num Hacceptors
3
Isomeric Smiles
CN1C=CC(=O)NC1=O
Canonical Smiles
CN1C=CC(=O)NC1=O
Herb Alias Names
1-METHYLURACIL615-77-01-methylpyrimidine-2,4(1H,3H)-dione1-Methyl-2,4(1H,3H)-pyrimidinedione1-methylpyrimidine-2,4-dioneUracil, 1-methyl-2,4(1H,3H)-Pyrimidinedione, 1-methyl-MFCD00038666NSC 44432N1-METHYLURACIL
Molecular Formula
C5H6N2O2
Molecular Formula
C5H6N2O2
Num Rotatable Bonds
0