4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine

C15H11ClN4 — CID 71233786

IUPAC4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
SMILESClc1ccnc(-c2ccnc(Nc3ccccc3)n2)c1
InChIInChI=1S/C15H11ClN4/c16-11-6-8-17-14(10-11)13-7-9-18-15(20-13)19-12-4-2-1-3-5-12/h1-10H,(H,18,19,20)
InChIKeyWDPWQPCDLSPBNH-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.94
Rot. Bonds3

About 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine

4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine (PubChem CID 71233786) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
PubChem CID71233786
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
SMILESClc1ccnc(-c2ccnc(Nc3ccccc3)n2)c1
InChIInChI=1S/C15H11ClN4/c16-11-6-8-17-14(10-11)13-7-9-18-15(20-13)19-12-4-2-1-3-5-12/h1-10H,(H,18,19,20)
InChIKeyWDPWQPCDLSPBNH-UHFFFAOYSA-N
XLogP3.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-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-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine (CID 71233786) is 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine is Clc1ccnc(-c2ccnc(Nc3ccccc3)n2)c1.
What is the InChIKey of 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine?
The InChIKey is WDPWQPCDLSPBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-11-6-8-17-14(10-11)13-7-9-18-15(20-13)19-12-4-2-1-3-5-12/h1-10H,(H,18,19,20).
What are the key properties of 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine?
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine has a molecular weight of 282.73 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 71233786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).