2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine

C12H19ClN4 — CID 114043589

IUPAC2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NC2CCCC(C)C2)c1N
InChIInChI=1S/C12H19ClN4/c1-7-4-3-5-9(6-7)16-11-10(14)8(2)15-12(13)17-11/h7,9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyHAVXWFWUHAFBNW-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.01
Rot. Bonds2

About 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine (PubChem CID 114043589) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine
PubChem CID114043589
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NC2CCCC(C)C2)c1N
InChIInChI=1S/C12H19ClN4/c1-7-4-3-5-9(6-7)16-11-10(14)8(2)15-12(13)17-11/h7,9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyHAVXWFWUHAFBNW-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine 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-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine
CID 114043533
2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
CID 122417179
2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 114044015
6-methyl-2-N-(3-methylcyclohexyl)pyridine-2,3-diamine
CID 81131942
2-chloro-6-methyl-N-(3-methylcyclopentyl)-5-nitropyrimidin-4-amine
CID 114043442
5-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 114043853
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
5-methyl-4-N-(3-methylcyclohexyl)-2-propylpyrimidine-4,6-diamine
CID 80994131
6-hydrazinyl-5-methyl-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 80894250
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
CID 114123728
3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114146012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine (CID 114043589) is 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine is Cc1nc(Cl)nc(NC2CCCC(C)C2)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine?
The InChIKey is HAVXWFWUHAFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-7-4-3-5-9(6-7)16-11-10(14)8(2)15-12(13)17-11/h7,9H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine has a molecular weight of 254.76 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114043589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).