2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C14H18ClN5 — CID 142748480

IUPAC2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cnc(Cl)nc2NC2CCCCC2)cn1
InChIInChI=1S/C14H18ClN5/c1-20-9-10(7-17-20)12-8-16-14(15)19-13(12)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,18,19)
InChIKeyWGMATGBLIXKVEL-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.28
Rot. Bonds3

About 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 142748480) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID142748480
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2cnc(Cl)nc2NC2CCCCC2)cn1
InChIInChI=1S/C14H18ClN5/c1-20-9-10(7-17-20)12-8-16-14(15)19-13(12)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,18,19)
InChIKeyWGMATGBLIXKVEL-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 142748480) is 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2cnc(Cl)nc2NC2CCCCC2)cn1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is WGMATGBLIXKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-20-9-10(7-17-20)12-8-16-14(15)19-13(12)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,18,19).
What are the key properties of 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 142748480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).