[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine

C12H12BrN3 — CID 62743751

IUPAC[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrN3/c1-8-5-11(7-14)16-12(15-8)9-3-2-4-10(13)6-9/h2-6H,7,14H2,1H3
InChIKeyHCMNAVLDHVNMCD-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.67
Rot. Bonds2

About [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine

[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 62743751) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID62743751
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrN3/c1-8-5-11(7-14)16-12(15-8)9-3-2-4-10(13)6-9/h2-6H,7,14H2,1H3
InChIKeyHCMNAVLDHVNMCD-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
CID 28904875
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022817
4-(methoxymethyl)-6-methyl-2-(3-methylphenyl)pyrimidine
CID 142147287
2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
CID 115069802
2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
4-(chloromethyl)-2-(3-methoxyphenyl)-6-methylpyrimidine
CID 55114193
4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine (CID 62743751) is [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(-c2cccc(Br)c2)n1.
What is the InChIKey of [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is HCMNAVLDHVNMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-5-11(7-14)16-12(15-8)9-3-2-4-10(13)6-9/h2-6H,7,14H2,1H3.
What are the key properties of [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine?
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 278.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62743751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).