1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine

C15H18BrN3O — CID 106951252

IUPAC1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C15H18BrN3O/c1-3-11(17)9-12-6-7-18-15(19-12)10-4-5-14(20-2)13(16)8-10/h4-8,11H,3,9,17H2,1-2H3
InChIKeyOKACHVIZLAWLPD-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine

1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine (PubChem CID 106951252) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
PubChem CID106951252
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1ccnc(-c2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C15H18BrN3O/c1-3-11(17)9-12-6-7-18-15(19-12)10-4-5-14(20-2)13(16)8-10/h4-8,11H,3,9,17H2,1-2H3
InChIKeyOKACHVIZLAWLPD-UHFFFAOYSA-N
XLogP3.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
1-[2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]butan-2-amine
CID 107504530
1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 102952915
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
CID 113337356
1-[2-(3-bromo-4-methylphenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 107915616
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748617
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 115531276
1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 106950862
1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 115568456
(1S)-1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145202
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
1-(2-pyrimidin-4-ylpyrimidin-4-yl)butan-2-amine
CID 63987310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine (CID 106951252) is 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine is CCC(N)Cc1ccnc(-c2ccc(OC)c(Br)c2)n1.
What is the InChIKey of 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine?
The InChIKey is OKACHVIZLAWLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-11(17)9-12-6-7-18-15(19-12)10-4-5-14(20-2)13(16)8-10/h4-8,11H,3,9,17H2,1-2H3.
What are the key properties of 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine?
1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methoxyphenyl)pyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 106951252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).