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

C10H10N4O — CID 20762

IUPAC6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one
SMILESNc1ccc(-c2cnc(=O)[nH]c2N)cc1
InChIInChI=1S/C10H10N4O/c11-7-3-1-6(2-4-7)8-5-13-10(15)14-9(8)12/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyORPMTKOOLDZBDA-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.60
Rot. Bonds1

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

6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one (PubChem CID 20762) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one
PubChem CID20762
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one
SMILESNc1ccc(-c2cnc(=O)[nH]c2N)cc1
InChIInChI=1S/C10H10N4O/c11-7-3-1-6(2-4-7)8-5-13-10(15)14-9(8)12/h1-5H,11H2,(H3,12,13,14,15)
InChIKeyORPMTKOOLDZBDA-UHFFFAOYSA-N
XLogP0.60
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.60
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 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one (CID 20762) is 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one is Nc1ccc(-c2cnc(=O)[nH]c2N)cc1.
What is the InChIKey of 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one?
The InChIKey is ORPMTKOOLDZBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-7-3-1-6(2-4-7)8-5-13-10(15)14-9(8)12/h1-5H,11H2,(H3,12,13,14,15).
What are the key properties of 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one?
6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one has a molecular weight of 202.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 20762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).