2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

C12H14BrN3O — CID 23731035

IUPAC2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cccc(Br)c2)N=C1N
InChIInChI=1S/C12H14BrN3O/c1-12(8-4-3-5-9(13)6-8)7-10(17)16(2)11(14)15-12/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyKOGMPVSNEXPUGA-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.84
Rot. Bonds1

About 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 23731035) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID23731035
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cccc(Br)c2)N=C1N
InChIInChI=1S/C12H14BrN3O/c1-12(8-4-3-5-9(13)6-8)7-10(17)16(2)11(14)15-12/h3-6H,7H2,1-2H3,(H2,14,15)
InChIKeyKOGMPVSNEXPUGA-UHFFFAOYSA-N
XLogP1.84
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 23731035) is 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cccc(Br)c2)N=C1N.
What is the InChIKey of 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is KOGMPVSNEXPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-12(8-4-3-5-9(13)6-8)7-10(17)16(2)11(14)15-12/h3-6H,7H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 296.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 23731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).