2-anilino-1H-pyrimidin-6-one

C10H9N3O — CID 1403852

IUPAC2-anilino-1H-pyrimidin-6-one
SMILESO=c1ccnc(Nc2ccccc2)[nH]1
InChIInChI=1S/C10H9N3O/c14-9-6-7-11-10(13-9)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChIKeyLUXZSFUVMDGVNE-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.51
Rot. Bonds2

About 2-anilino-1H-pyrimidin-6-one

2-anilino-1H-pyrimidin-6-one (PubChem CID 1403852) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-anilino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-1H-pyrimidin-6-one
PubChem CID1403852
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-anilino-1H-pyrimidin-6-one
SMILESO=c1ccnc(Nc2ccccc2)[nH]1
InChIInChI=1S/C10H9N3O/c14-9-6-7-11-10(13-9)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChIKeyLUXZSFUVMDGVNE-UHFFFAOYSA-N
XLogP1.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-anilino-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

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-1H-pyrimidin-6-one (CID 1403852) is 2-anilino-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-1H-pyrimidin-6-one is O=c1ccnc(Nc2ccccc2)[nH]1.
What is the InChIKey of 2-anilino-1H-pyrimidin-6-one?
The InChIKey is LUXZSFUVMDGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-9-6-7-11-10(13-9)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14).
What are the key properties of 2-anilino-1H-pyrimidin-6-one?
2-anilino-1H-pyrimidin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1H-pyrimidin-6-one is sourced from PubChem (CID 1403852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).