[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine

C16H18BrN3 — CID 116896148

IUPAC[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
SMILESCc1cc(-c2ccc(Br)cc2)nc(C2(CN)CCC2)n1
InChIInChI=1S/C16H18BrN3/c1-11-9-14(12-3-5-13(17)6-4-12)20-15(19-11)16(10-18)7-2-8-16/h3-6,9H,2,7-8,10,18H2,1H3
InChIKeyVTVVFJVALHGPHS-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.59
Rot. Bonds3

About [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine

[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine (PubChem CID 116896148) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
PubChem CID116896148
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
SMILESCc1cc(-c2ccc(Br)cc2)nc(C2(CN)CCC2)n1
InChIInChI=1S/C16H18BrN3/c1-11-9-14(12-3-5-13(17)6-4-12)20-15(19-11)16(10-18)7-2-8-16/h3-6,9H,2,7-8,10,18H2,1H3
InChIKeyVTVVFJVALHGPHS-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896060
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methanethiol
CID 116894484
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
[1-[5-(4-bromophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanamine
CID 102543920
[1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902686
[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine
CID 116990055
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896019
N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine
CID 116893210
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine (CID 116896148) is [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine is Cc1cc(-c2ccc(Br)cc2)nc(C2(CN)CCC2)n1.
What is the InChIKey of [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine?
The InChIKey is VTVVFJVALHGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-11-9-14(12-3-5-13(17)6-4-12)20-15(19-11)16(10-18)7-2-8-16/h3-6,9H,2,7-8,10,18H2,1H3.
What are the key properties of [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine?
[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine has a molecular weight of 332.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine is sourced from PubChem (CID 116896148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).