5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine

C13H21ClN4 — CID 80777437

IUPAC5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC2CCCC(C)C2C)n1
InChIInChI=1S/C13H21ClN4/c1-8-5-4-6-11(9(8)2)17-12-10(14)7-16-13(15-3)18-12/h7-9,11H,4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyNBHXTRHOOJFVMW-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80777437) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80777437
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC2CCCC(C)C2C)n1
InChIInChI=1S/C13H21ClN4/c1-8-5-4-6-11(9(8)2)17-12-10(14)7-16-13(15-3)18-12/h7-9,11H,4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyNBHXTRHOOJFVMW-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-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

5-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80841279
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 79075440
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80847184
5-chloro-4-N-(1,1-dioxothian-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80789758
5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
2-N,5-dimethyl-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 80826355
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
CID 106875451
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine (CID 80777437) is 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC2CCCC(C)C2C)n1.
What is the InChIKey of 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is NBHXTRHOOJFVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-8-5-4-6-11(9(8)2)17-12-10(14)7-16-13(15-3)18-12/h7-9,11H,4-6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80777437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).