4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine

C20H15ClN4 — CID 176729805

IUPAC4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cc4ccccc4nc3Cl)nc(N)n2)cc1
InChIInChI=1S/C20H15ClN4/c1-12-6-8-13(9-7-12)17-11-18(25-20(22)24-17)15-10-14-4-2-3-5-16(14)23-19(15)21/h2-11H,1H3,(H2,22,24,25)
InChIKeyBSKSBUZJFYDTOV-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.90
Rot. Bonds2

About 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine

4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 176729805) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine
PubChem CID176729805
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cc4ccccc4nc3Cl)nc(N)n2)cc1
InChIInChI=1S/C20H15ClN4/c1-12-6-8-13(9-7-12)17-11-18(25-20(22)24-17)15-10-14-4-2-3-5-16(14)23-19(15)21/h2-11H,1H3,(H2,22,24,25)
InChIKeyBSKSBUZJFYDTOV-UHFFFAOYSA-N
XLogP4.90
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-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 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine (CID 176729805) is 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(-c2cc(-c3cc4ccccc4nc3Cl)nc(N)n2)cc1.
What is the InChIKey of 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is BSKSBUZJFYDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c1-12-6-8-13(9-7-12)17-11-18(25-20(22)24-17)15-10-14-4-2-3-5-16(14)23-19(15)21/h2-11H,1H3,(H2,22,24,25).
What are the key properties of 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine?
4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 346.82 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroquinolin-3-yl)-6-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 176729805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).