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

C12H11BrClN3 — CID 113337351

IUPAC[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C12H11BrClN3/c1-7-4-9(6-15)17-12(16-7)8-2-3-11(14)10(13)5-8/h2-5H,6,15H2,1H3
InChIKeyHWAROJZZJPQGGB-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.33
Rot. Bonds2

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

[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 113337351) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID113337351
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C12H11BrClN3/c1-7-4-9(6-15)17-12(16-7)8-2-3-11(14)10(13)5-8/h2-5H,6,15H2,1H3
InChIKeyHWAROJZZJPQGGB-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 115568456
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 115568668
2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 115568211
1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 107915616
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
CID 113337356
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
(4-chloro-6-methyl-2-pyridinyl)methanamine
CID 55253198

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine (CID 113337351) is [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is HWAROJZZJPQGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-4-9(6-15)17-12(16-7)8-2-3-11(14)10(13)5-8/h2-5H,6,15H2,1H3.
What are the key properties of [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine?
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 312.60 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 113337351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).