2-chloro-4-phenylpyrimidine

C10H7ClN2 — CID 605356

IUPAC2-chloro-4-phenylpyrimidine
SMILESClc1nccc(-c2ccccc2)n1
InChIInChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyAAZYJKNISGEWEV-UHFFFAOYSA-N
MW190.63 g/mol
LogP2.80
Rot. Bonds1

About 2-chloro-4-phenylpyrimidine

2-chloro-4-phenylpyrimidine (PubChem CID 605356) has the molecular formula C10H7ClN2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-chloro-4-phenylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenylpyrimidine
PubChem CID605356
Molecular FormulaC10H7ClN2
Molecular Weight190.63 g/mol
Exact Mass190.03
IUPAC Name2-chloro-4-phenylpyrimidine
SMILESClc1nccc(-c2ccccc2)n1
InChIInChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyAAZYJKNISGEWEV-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-phenylpyrimidine 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

Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
6-Aminoquinazoline
CID 589288
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Iodo-6-phenylpyrimidine
CID 817368
Quinazolin-2-amine
CID 519332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylpyrimidine?
The IUPAC name of 2-chloro-4-phenylpyrimidine (CID 605356) is 2-chloro-4-phenylpyrimidine.
What is the SMILES notation for 2-chloro-4-phenylpyrimidine?
The canonical SMILES for 2-chloro-4-phenylpyrimidine is Clc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-phenylpyrimidine?
The InChIKey is AAZYJKNISGEWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-4-phenylpyrimidine?
2-chloro-4-phenylpyrimidine has a molecular weight of 190.63 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylpyrimidine is sourced from PubChem (CID 605356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).