Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 734
- Core Entity Id
- 4009
- Source Entity Count
- 1
- Preferred Name
- 2,4-diaminopyrimidine
- Name En
- Pubchem Id
- 67431
- Smiles Canonical
- C1=CN=C(N=C1N)N
- Molecular Formula
- C4H6N4
- Molecular Weight
- 110.1200
- Inchikey
- YAAWASYJIRZXSZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
- Isomeric Smiles
- C1=CN=C(N=C1N)N
- Cas Id
- Ob Score
- Mol Logp
- -0.3590
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-diaminopyrimidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4-diaminopyrimidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-diaminopyrimidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
156-81-0
Role
alias
Source
HERB_v2
Preferred
No
Name
156-81-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Pyrimidinediamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Pyrimidinediamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-diamino-pyrimidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-diamino-pyrimidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Diaminopyrimidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Diaminopyrimidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diaminopyrimidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Diaminopyrimidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00038023
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00038023
Role
alias
Source
itcmdb_public
Preferred
No
Name
PYRIMIDINE-2,4-DIAMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
PYRIMIDINE-2,4-DIAMINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrimidine, 2,4-diamino-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrimidine, 2,4-diamino-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrimidine-2,4-diyldiamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrimidine-2,4-diyldiamine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
156-81-02,4-Pyrimidinediamine2,4-diamino-pyrimidine2,6-DiaminopyrimidineDiaminopyrimidineMFCD00038023PYRIMIDINE-2,4-DIAMINEPyrimidine, 2,4-diamino-Pyrimidine-2,4-diyldiamine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004306
Npass
NPC230087
Tcmid
40624
Pub Chem
67431
Tcmbank
TCMBANKIN019288
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
Mol Wt
110.12
Smiles
C1=CN=C(N=C1N)N
Mol Log P
-0.3590000000000002
In Ch Ikey
YAAWASYJIRZXSZ-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.478
Num Hacceptors
4
Isomeric Smiles
C1=CN=C(N=C1N)N
Canonical Smiles
C1=CN=C(N=C1N)N
Herb Alias Names
156-81-0PYRIMIDINE-2,4-DIAMINE2,4-Pyrimidinediamine2,6-DiaminopyrimidinePyrimidine, 2,4-diamino-DiaminopyrimidinePyrimidine-2,4-diyldiamine2,4-diamino-pyrimidineMFCD00038023
Molecular Weight
110.12 g/mol
Molecular Formula
C4H6N4
Molecular Formula
C4H6N4
Num Rotatable Bonds
0