2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine

C16H17BrFN3 — CID 107924049

IUPAC2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CCCC2)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C16H17BrFN3/c1-19-15-9-14(10-4-2-3-5-10)20-16(21-15)12-8-11(18)6-7-13(12)17/h6-10H,2-5H2,1H3,(H,19,20,21)
InChIKeyGCELMFXGUZKNRA-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.74
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine

2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine (PubChem CID 107924049) has the molecular formula C16H17BrFN3 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
PubChem CID107924049
Molecular FormulaC16H17BrFN3
Molecular Weight350.24 g/mol
Exact Mass349.06
IUPAC Name2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CCCC2)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C16H17BrFN3/c1-19-15-9-14(10-4-2-3-5-10)20-16(21-15)12-8-11(18)6-7-13(12)17/h6-10H,2-5H2,1H3,(H,19,20,21)
InChIKeyGCELMFXGUZKNRA-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 106889224
2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354503
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 107924535
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354301
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol
CID 135975477
6-cyclopropyl-N-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55221139
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107281489

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine (CID 107924049) is 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine is CNc1cc(C2CCCC2)nc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine?
The InChIKey is GCELMFXGUZKNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3/c1-19-15-9-14(10-4-2-3-5-10)20-16(21-15)12-8-11(18)6-7-13(12)17/h6-10H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine?
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine has a molecular weight of 350.24 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107924049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).