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

C13H15N3O2 — CID 135546697

IUPAC2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccccc2O)n1
InChIInChI=1S/C13H15N3O2/c1-2-5-9-8-12(18)16-13(14-9)15-10-6-3-4-7-11(10)17/h3-4,6-8,17H,2,5H2,1H3,(H2,14,15,16,18)
InChIKeyHHBWTOYJZAJNEY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.17
Rot. Bonds4

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

2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135546697) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135546697
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccccc2O)n1
InChIInChI=1S/C13H15N3O2/c1-2-5-9-8-12(18)16-13(14-9)15-10-6-3-4-7-11(10)17/h3-4,6-8,17H,2,5H2,1H3,(H2,14,15,16,18)
InChIKeyHHBWTOYJZAJNEY-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': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one (CID 135546697) is 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccccc2O)n1.
What is the InChIKey of 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is HHBWTOYJZAJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-5-9-8-12(18)16-13(14-9)15-10-6-3-4-7-11(10)17/h3-4,6-8,17H,2,5H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
2-(2-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-(2-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135546697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).