6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine

C14H20ClN3 — CID 114156780

IUPAC6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2CC=CCC2)n1
InChIInChI=1S/C14H20ClN3/c1-3-7-12-17-13(15)10(2)14(18-12)16-11-8-5-4-6-9-11/h4-5,11H,3,6-9H2,1-2H3,(H,16,17,18)
InChIKeyPLPMCDPWWLSKRY-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.91
Rot. Bonds4

About 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 114156780) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID114156780
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2CC=CCC2)n1
InChIInChI=1S/C14H20ClN3/c1-3-7-12-17-13(15)10(2)14(18-12)16-11-8-5-4-6-9-11/h4-5,11H,3,6-9H2,1-2H3,(H,16,17,18)
InChIKeyPLPMCDPWWLSKRY-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-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 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine (CID 114156780) is 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC2CC=CCC2)n1.
What is the InChIKey of 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is PLPMCDPWWLSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-7-12-17-13(15)10(2)14(18-12)16-11-8-5-4-6-9-11/h4-5,11H,3,6-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114156780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).