Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4658
- Core Entity Id
- 8368
- Source Entity Count
- 1
- Preferred Name
- 3-methyl-1h-pyrimidine-2,4-dione
- Name En
- Pubchem Id
- 79066
- Smiles Canonical
- CN1C(=O)C=CNC1=O
- Molecular Formula
- C5H6N2O2
- Molecular Weight
- 126.1150
- Inchikey
- VPLZGVOSFFCKFC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
- Isomeric Smiles
- CN1C(=O)C=CNC1=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
3- methyl- 1H- pyrimidine- 2,4- dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-methyl-1h-pyrimidine-2,4-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methyl-1h-pyrimidine-2,4-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4(1H,3H)-Pyrimidinedione, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4(1H,3H)-Pyrimidinedione, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
27942-00-3
Role
alias
Source
HERB_v2
Preferred
No
Name
27942-00-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-MeU
Role
alias
Source
HERB_v2
Preferred
No
Name
3-MeU
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyluracil
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methyluracil
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-1H-pyrimidine-2,4-dione
Role
alias
Source
TCMBank
Preferred
No
Name
3-methyl-2,4(1H,3H)-pyrimidinedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl-2,4(1H,3H)-pyrimidinedione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methylpyrimidine-2,4(1H,3H)-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methylpyrimidine-2,4(1H,3H)-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
608-34-4
Role
alias
Source
HERB_v2
Preferred
No
Name
608-34-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00038014
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00038014
Role
alias
Source
itcmdb_public
Preferred
No
Name
Uracil, methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Uracil, methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3- methyl- 1H- pyrimidine- 2,4- dione2,4(1H,3H)-Pyrimidinedione, 3-methyl-27942-00-33-MeU3-Methyluracil3-methyl-2,4(1H,3H)-pyrimidinedione3-methylpyrimidine-2,4(1H,3H)-dione608-34-4MFCD00038014Uracil, methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008869
Npass
NPC273345
Tcmid
4065642707
Pub Chem
79066
Tcmbank
TCMBANKIN001946
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
Mol Wt
126.115
Smiles
CN1C(=O)C=CNC1=O
Mol Log P
-0.9264000000000001
In Ch Ikey
VPLZGVOSFFCKFC-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.488
Num Hacceptors
3
Isomeric Smiles
CN1C(=O)C=CNC1=O
Canonical Smiles
CN1C(=O)C=CNC1=O
Herb Alias Names
3-Methyluracil608-34-43-methylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 3-methyl-3-MeUMFCD0003801427942-00-33-methyl-2,4(1H,3H)-pyrimidinedioneUracil, methyl-
Molecular Weight
126.11 g/mol
Molecular Formula
C5H6N2O2
Molecular Formula
C5H6N2O2
Num Rotatable Bonds
0