2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one

C13H15N3O2 — CID 135459610

IUPAC2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1
InChIInChI=1S/C13H15N3O2/c1-2-3-10-8-12(18)16-13(15-10)14-9-4-6-11(17)7-5-9/h4-8,17H,2-3H2,1H3,(H2,14,15,16,18)
InChIKeySRANCZAWVXVZCU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one

2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135459610) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135459610
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1
InChIInChI=1S/C13H15N3O2/c1-2-3-10-8-12(18)16-13(15-10)14-9-4-6-11(17)7-5-9/h4-8,17H,2-3H2,1H3,(H2,14,15,16,18)
InChIKeySRANCZAWVXVZCU-UHFFFAOYSA-N
XLogP2.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyanilino)-4-propyl-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-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one (CID 135459610) is 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc(O)cc2)n1.
What is the InChIKey of 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is SRANCZAWVXVZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-3-10-8-12(18)16-13(15-10)14-9-4-6-11(17)7-5-9/h4-8,17H,2-3H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).