2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine

C15H13BrClFN2 — CID 107281079

IUPAC2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(C3CCCC3)n2)c(Br)c1
InChIInChI=1S/C15H13BrClFN2/c16-12-7-10(18)5-6-11(12)15-19-13(8-14(17)20-15)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyHMBNWWNXQSYUII-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.36
Rot. Bonds2

About 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine

2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine (PubChem CID 107281079) has the molecular formula C15H13BrClFN2 and a molecular weight of 355.64 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
PubChem CID107281079
Molecular FormulaC15H13BrClFN2
Molecular Weight355.64 g/mol
Exact Mass353.99
IUPAC Name2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(C3CCCC3)n2)c(Br)c1
InChIInChI=1S/C15H13BrClFN2/c16-12-7-10(18)5-6-11(12)15-19-13(8-14(17)20-15)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyHMBNWWNXQSYUII-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.64
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107281489
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
CID 107281472
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
CID 113390238
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710
3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995
4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209
2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107539789
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
CID 104816928
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
CID 63355073
4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 113390310
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine (CID 107281079) is 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine is Fc1ccc(-c2nc(Cl)cc(C3CCCC3)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine?
The InChIKey is HMBNWWNXQSYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2/c16-12-7-10(18)5-6-11(12)15-19-13(8-14(17)20-15)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine?
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine has a molecular weight of 355.64 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine is sourced from PubChem (CID 107281079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).