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

C5H4ClN5 — CID 86708021

IUPAC2,4-diamino-6-chloropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1Cl
InChIInChI=1S/C5H4ClN5/c6-3-2(1-7)4(8)11-5(9)10-3/h(H4,8,9,10,11)
InChIKeyGHPANXXDQMHDBH-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.17
Rot. Bonds

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

2,4-diamino-6-chloropyrimidine-5-carbonitrile (PubChem CID 86708021) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 2,4-diamino-6-chloropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-chloropyrimidine-5-carbonitrile
PubChem CID86708021
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name2,4-diamino-6-chloropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1Cl
InChIInChI=1S/C5H4ClN5/c6-3-2(1-7)4(8)11-5(9)10-3/h(H4,8,9,10,11)
InChIKeyGHPANXXDQMHDBH-UHFFFAOYSA-N
XLogP0.17
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-diamino-6-chloropyrimidine-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

2-Amino-4,6-dichloro-5-methylpyrimidine
CID 246751
Pyrimidine, 4-amino-6-chloro-2,5-dimethyl-
CID 205584
4-Amino-6-chloropyrimidine-5-carbonitrile
CID 12278262
4,6-Dichloro-2-methylpyrimidine-5-carbonitrile
CID 45036993
2,4,6-Triaminopyrimidine-5-carbonitrile
CID 46835388
5-Chloropyrimidine-2,4,6-triamine
CID 345635
N'-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylcarbamimidoyl chloride
CID 15783017
2-[6-Chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
CID 15828716
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159
4,6-Diamino-2-chloro-pyrimidine-5-carbonitrile
CID 10986685
2-Chloro-5-methyl-4,6-pyrimidinediamine
CID 12258864
2-Amino-4-chloro-6-(methylamino)pyrimidine-5-carbonitrile
CID 129930588

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-chloropyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-chloropyrimidine-5-carbonitrile (CID 86708021) is 2,4-diamino-6-chloropyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-chloropyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-chloropyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1Cl.
What is the InChIKey of 2,4-diamino-6-chloropyrimidine-5-carbonitrile?
The InChIKey is GHPANXXDQMHDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-3-2(1-7)4(8)11-5(9)10-3/h(H4,8,9,10,11).
What are the key properties of 2,4-diamino-6-chloropyrimidine-5-carbonitrile?
2,4-diamino-6-chloropyrimidine-5-carbonitrile has a molecular weight of 169.58 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-chloropyrimidine-5-carbonitrile is sourced from PubChem (CID 86708021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).