1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine

C15H17BrClN3 — CID 115568456

IUPAC1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClN3/c1-3-11(18)8-12-6-9(2)19-15(20-12)10-4-5-14(17)13(16)7-10/h4-7,11H,3,8,18H2,1-2H3
InChIKeyYVIAHXVVHZTKJH-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.15
Rot. Bonds4

About 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine

1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine (PubChem CID 115568456) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
PubChem CID115568456
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClN3/c1-3-11(18)8-12-6-9(2)19-15(20-12)10-4-5-14(17)13(16)7-10/h4-7,11H,3,8,18H2,1-2H3
InChIKeyYVIAHXVVHZTKJH-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 107915616
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
CID 62746111
1-[2-(4-bromo-2-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 103083973
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
CID 113337356
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
CID 106951252
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 115568668
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 115568211
1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
CID 62745584
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine (CID 115568456) is 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine is CCC(N)Cc1cc(C)nc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
The InChIKey is YVIAHXVVHZTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-11(18)8-12-6-9(2)19-15(20-12)10-4-5-14(17)13(16)7-10/h4-7,11H,3,8,18H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine?
1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine has a molecular weight of 354.68 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 115568456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).