5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine

C13H21ClN4 — CID 80836031

IUPAC5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
SMILESCC1CCC(CCNc2nc(N)ncc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-9-2-4-10(5-3-9)6-7-16-12-11(14)8-17-13(15)18-12/h8-10H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyYQAYPTMJXSGFNR-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine

5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80836031) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80836031
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
SMILESCC1CCC(CCNc2nc(N)ncc2Cl)CC1
InChIInChI=1S/C13H21ClN4/c1-9-2-4-10(5-3-9)6-7-16-12-11(14)8-17-13(15)18-12/h8-10H,2-7H2,1H3,(H3,15,16,17,18)
InChIKeyYQAYPTMJXSGFNR-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-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-2-(piperidin-4-YL)pyrimidine
CID 55262357
5-Iodo-N4-(trans-4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 68354812
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351
2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 59442725
2-chloro-5-fluoro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 79080515
N1-(2-chloro-5-fluoropyrimidin-4-yl)-5-methylcyclohexane-1,3-diamine
CID 86667457
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 89154726
3-N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethylcyclohexane-1,3-diamine
CID 118882777
4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylheptane-2,4-diamine
CID 123182634
2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine
CID 123213013
4-N-[(3R,8R)-8-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2,7,7-tetramethylnonan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 129130734
4-N-[8-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2,7,7-tetramethylnonan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 129151666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine (CID 80836031) is 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine is CC1CCC(CCNc2nc(N)ncc2Cl)CC1.
What is the InChIKey of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YQAYPTMJXSGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-2-4-10(5-3-9)6-7-16-12-11(14)8-17-13(15)18-12/h8-10H,2-7H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.34, 4 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-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80836031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).