2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one

C10H9BrN4O — CID 135987595

IUPAC2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one
SMILESNc1cccc(-c2nc(N)[nH]c(=O)c2Br)c1
InChIInChI=1S/C10H9BrN4O/c11-7-8(14-10(13)15-9(7)16)5-2-1-3-6(12)4-5/h1-4H,12H2,(H3,13,14,15,16)
InChIKeyGGWCVCCJISHBEL-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.36
Rot. Bonds1

About 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one

2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one (PubChem CID 135987595) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one
PubChem CID135987595
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one
SMILESNc1cccc(-c2nc(N)[nH]c(=O)c2Br)c1
InChIInChI=1S/C10H9BrN4O/c11-7-8(14-10(13)15-9(7)16)5-2-1-3-6(12)4-5/h1-4H,12H2,(H3,13,14,15,16)
InChIKeyGGWCVCCJISHBEL-UHFFFAOYSA-N
XLogP1.36
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one (CID 135987595) is 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one is Nc1cccc(-c2nc(N)[nH]c(=O)c2Br)c1.
What is the InChIKey of 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is GGWCVCCJISHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-7-8(14-10(13)15-9(7)16)5-2-1-3-6(12)4-5/h1-4H,12H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one?
2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 281.11 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 135987595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).