2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine

C16H18BrN3 — CID 103083839

IUPAC2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine
SMILESCc1cc(Br)ccc1-c1nc(N)cc(C2CCCC2)n1
InChIInChI=1S/C16H18BrN3/c1-10-8-12(17)6-7-13(10)16-19-14(9-15(18)20-16)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,18,19,20)
InChIKeyPLKKTVHLWGRVLJ-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.45
Rot. Bonds2

About 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine

2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine (PubChem CID 103083839) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine
PubChem CID103083839
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine
SMILESCc1cc(Br)ccc1-c1nc(N)cc(C2CCCC2)n1
InChIInChI=1S/C16H18BrN3/c1-10-8-12(17)6-7-13(10)16-19-14(9-15(18)20-16)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,18,19,20)
InChIKeyPLKKTVHLWGRVLJ-UHFFFAOYSA-N
XLogP4.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107539789
3-(4-bromo-2-methylphenyl)-1,2,4-thiadiazol-5-amine
CID 103083523
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 63354241
6-cyclopropyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970784
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine
CID 103084091
2-(4-bromo-2-methylphenyl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 103083572
6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 113390538
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103083212
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
3-(4-bromo-2-methylphenyl)-5-chloro-1H-1,2,4-triazole
CID 103084158

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine (CID 103083839) is 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine is Cc1cc(Br)ccc1-c1nc(N)cc(C2CCCC2)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine?
The InChIKey is PLKKTVHLWGRVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-10-8-12(17)6-7-13(10)16-19-14(9-15(18)20-16)11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,18,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine?
2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine has a molecular weight of 332.25 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine is sourced from PubChem (CID 103083839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).