5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

C15H12BrN3O — CID 66294315

IUPAC5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(-c2ccco2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H12BrN3O/c1-17-15-12(16)13(10-6-3-2-4-7-10)18-14(19-15)11-8-5-9-20-11/h2-9H,1H3,(H,17,18,19)
InChIKeyXBZDVJYZJSZTDQ-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.21
Rot. Bonds3

About 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 66294315) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID66294315
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1nc(-c2ccco2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H12BrN3O/c1-17-15-12(16)13(10-6-3-2-4-7-10)18-14(19-15)11-8-5-9-20-11/h2-9H,1H3,(H,17,18,19)
InChIKeyXBZDVJYZJSZTDQ-UHFFFAOYSA-N
XLogP4.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-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-(furan-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305905
5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294324
N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 104846802
5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294532
5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
CID 66294519
2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 66306045
2-(furan-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203023
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 66294321
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
2-(furan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62699465
ethane;2-phenylfuran
CID 143157762
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (CID 66294315) is 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is CNc1nc(-c2ccco2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is XBZDVJYZJSZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-17-15-12(16)13(10-6-3-2-4-7-10)18-14(19-15)11-8-5-9-20-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 330.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).