4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine

C16H10ClFN2 — CID 57059216

IUPAC4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(Cl)ncn2)cc1-c1ccccc1
InChIInChI=1S/C16H10ClFN2/c17-16-9-15(19-10-20-16)12-6-7-14(18)13(8-12)11-4-2-1-3-5-11/h1-10H
InChIKeyBNTNICYGHAYUTP-UHFFFAOYSA-N
MW284.72 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine

4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine (PubChem CID 57059216) has the molecular formula C16H10ClFN2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine
PubChem CID57059216
Molecular FormulaC16H10ClFN2
Molecular Weight284.72 g/mol
Exact Mass284.05
IUPAC Name4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine
SMILESFc1ccc(-c2cc(Cl)ncn2)cc1-c1ccccc1
InChIInChI=1S/C16H10ClFN2/c17-16-9-15(19-10-20-16)12-6-7-14(18)13(8-12)11-4-2-1-3-5-11/h1-10H
InChIKeyBNTNICYGHAYUTP-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine 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

2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
Htl14242
CID 86763358
4-Chloroquinazoline
CID 78864
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
4-(4-Phenylphenyl)pyrimidine
CID 817541
9-Chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine
CID 131736
6-(3-Chlorophenyl)quinazolin-4-Amine
CID 72705109
4-(1-Benzyl-piperidin-4-yl)-6-(4-chloro-phenyl)-pyrimidin-2-ylamine
CID 9951735
3-Chloro-4-fluoro-5-[6-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]benzonitrile
CID 91668258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine (CID 57059216) is 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine is Fc1ccc(-c2cc(Cl)ncn2)cc1-c1ccccc1.
What is the InChIKey of 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine?
The InChIKey is BNTNICYGHAYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2/c17-16-9-15(19-10-20-16)12-6-7-14(18)13(8-12)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine?
4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine has a molecular weight of 284.72 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluoro-3-phenylphenyl)pyrimidine is sourced from PubChem (CID 57059216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).