2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one

C10H10BrN3O — CID 69070989

IUPAC2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESNC1=NC(c2cccc(Br)c2)CC(=O)N1
InChIInChI=1S/C10H10BrN3O/c11-7-3-1-2-6(4-7)8-5-9(15)14-10(12)13-8/h1-4,8H,5H2,(H3,12,13,14,15)
InChIKeyACIHIGBLDOYMAI-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.32
Rot. Bonds1

About 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one

2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 69070989) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID69070989
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESNC1=NC(c2cccc(Br)c2)CC(=O)N1
InChIInChI=1S/C10H10BrN3O/c11-7-3-1-2-6(4-7)8-5-9(15)14-10(12)13-8/h1-4,8H,5H2,(H3,12,13,14,15)
InChIKeyACIHIGBLDOYMAI-UHFFFAOYSA-N
XLogP1.32
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

Analyze 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one 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-amino-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 46245825
2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
CID 22426110
5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
CID 16731316
(2R)-2-(3-bromophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 6923688
3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
CID 79431517
6-(3-bromophenyl)piperidine-2,4-dione
CID 83825931
(2S)-2-(3-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 86334224
(4S)-5-acetyl-4-(3-bromophenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 132539338
(9R)-9-(3-bromophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1094693
3-(3-bromophenyl)-1,6,7,8-tetrahydropyrimido[1,2-a]pyrimidine-2,4-dione
CID 112640033
(7R,11R)-7,11-bis(3-bromophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 98188981
2-(3-bromophenyl)pyrrolidin-3-one
CID 83843081

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one (CID 69070989) is 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one is NC1=NC(c2cccc(Br)c2)CC(=O)N1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is ACIHIGBLDOYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-7-3-1-2-6(4-7)8-5-9(15)14-10(12)13-8/h1-4,8H,5H2,(H3,12,13,14,15).
What are the key properties of 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 268.11 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 69070989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).