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'}

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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).