2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine

C15H18BrN3O — CID 116892561

IUPAC2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
SMILESCOc1ccc(-c2cc(C)nc(C(C)(C)N)n2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-9-7-12(19-14(18-9)15(2,3)17)10-5-6-13(20-4)11(16)8-10/h5-8H,17H2,1-4H3
InChIKeyOXFFJOCSXUTTNN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.42
Rot. Bonds3

About 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine

2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine (PubChem CID 116892561) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
PubChem CID116892561
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
SMILESCOc1ccc(-c2cc(C)nc(C(C)(C)N)n2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-9-7-12(19-14(18-9)15(2,3)17)10-5-6-13(20-4)11(16)8-10/h5-8H,17H2,1-4H3
InChIKeyOXFFJOCSXUTTNN-UHFFFAOYSA-N
XLogP3.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-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

2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892562
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole
CID 116965317
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine
CID 70810179
6-(3-bromo-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854245
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine (CID 116892561) is 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine is COc1ccc(-c2cc(C)nc(C(C)(C)N)n2)cc1Br.
What is the InChIKey of 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
The InChIKey is OXFFJOCSXUTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-7-12(19-14(18-9)15(2,3)17)10-5-6-13(20-4)11(16)8-10/h5-8H,17H2,1-4H3.
What are the key properties of 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine?
2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116892561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).