[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine

C16H18BrN3 — CID 116896060

IUPAC[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
SMILESCc1cc(-c2cc(Br)ccc2C)nc(C2(CN)CC2)n1
InChIInChI=1S/C16H18BrN3/c1-10-3-4-12(17)8-13(10)14-7-11(2)19-15(20-14)16(9-18)5-6-16/h3-4,7-8H,5-6,9,18H2,1-2H3
InChIKeyDNGPUJZSCHFFAN-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.51
Rot. Bonds3

About [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine

[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine (PubChem CID 116896060) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
PubChem CID116896060
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
SMILESCc1cc(-c2cc(Br)ccc2C)nc(C2(CN)CC2)n1
InChIInChI=1S/C16H18BrN3/c1-10-3-4-12(17)8-13(10)14-7-11(2)19-15(20-14)16(9-18)5-6-16/h3-4,7-8H,5-6,9,18H2,1-2H3
InChIKeyDNGPUJZSCHFFAN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
CID 116896148
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896019
1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902605
4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893757
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
1-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896707
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
CID 116897213
[1-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902682
[1-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902677

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine (CID 116896060) is [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine is Cc1cc(-c2cc(Br)ccc2C)nc(C2(CN)CC2)n1.
What is the InChIKey of [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
The InChIKey is DNGPUJZSCHFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c1-10-3-4-12(17)8-13(10)14-7-11(2)19-15(20-14)16(9-18)5-6-16/h3-4,7-8H,5-6,9,18H2,1-2H3.
What are the key properties of [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine?
[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine has a molecular weight of 332.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116896060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).