4,6-diamino-2-methylpyrimidine-5-carbonitrile

C6H7N5 — CID 44723573

IUPAC4,6-diamino-2-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c(N)n1
InChIInChI=1S/C6H7N5/c1-3-10-5(8)4(2-7)6(9)11-3/h1H3,(H4,8,9,10,11)
InChIKeyAOOIPJVCCZPHBP-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.18
Rot. Bonds

About 4,6-diamino-2-methylpyrimidine-5-carbonitrile

4,6-diamino-2-methylpyrimidine-5-carbonitrile (PubChem CID 44723573) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4,6-diamino-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-methylpyrimidine-5-carbonitrile
PubChem CID44723573
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name4,6-diamino-2-methylpyrimidine-5-carbonitrile
SMILESCc1nc(N)c(C#N)c(N)n1
InChIInChI=1S/C6H7N5/c1-3-10-5(8)4(2-7)6(9)11-3/h1H3,(H4,8,9,10,11)
InChIKeyAOOIPJVCCZPHBP-UHFFFAOYSA-N
XLogP-0.18
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,6-diamino-2-methylpyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
Pyrimidine, 4-amino-6-chloro-2,5-dimethyl-
CID 205584
4,6-Dichloro-2-methylpyrimidine-5-carbonitrile
CID 45036993
2,4,6-Triaminopyrimidine-5-carbonitrile
CID 46835388
2,5-Dimethylpyrimidine-4,6-diamine
CID 22329459
4,6-Diamino-2-chloro-pyrimidine-5-carbonitrile
CID 10986685
2-Chloro-5-methyl-4,6-pyrimidinediamine
CID 12258864
2,4-Diamino-6-chloropyrimidine-5-carbonitrile
CID 86708021
2,4,6-Triazidopyrimidine-5-carbonitrile
CID 139599916
5-Methylpyrimidine-2,4,6-triamine
CID 3018257
4,6-Difluoro-2,5-dimethylpyrimidine
CID 20656984
5-Fluoro-2-methylpyrimidine-4,6-diamine
CID 57422049

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-diamino-2-methylpyrimidine-5-carbonitrile (CID 44723573) is 4,6-diamino-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-2-methylpyrimidine-5-carbonitrile is Cc1nc(N)c(C#N)c(N)n1.
What is the InChIKey of 4,6-diamino-2-methylpyrimidine-5-carbonitrile?
The InChIKey is AOOIPJVCCZPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-3-10-5(8)4(2-7)6(9)11-3/h1H3,(H4,8,9,10,11).
What are the key properties of 4,6-diamino-2-methylpyrimidine-5-carbonitrile?
4,6-diamino-2-methylpyrimidine-5-carbonitrile has a molecular weight of 149.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 44723573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).