2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one

C13H15N3O2 — CID 135443968

IUPAC2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1
InChIInChI=1S/C13H15N3O2/c1-2-4-9-8-12(18)16-13(14-9)15-10-5-3-6-11(17)7-10/h3,5-8,17H,2,4H2,1H3,(H2,14,15,16,18)
InChIKeyBCODTYDYUDSIRZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one

2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135443968) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135443968
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1
InChIInChI=1S/C13H15N3O2/c1-2-4-9-8-12(18)16-13(14-9)15-10-5-3-6-11(17)7-10/h3,5-8,17H,2,4H2,1H3,(H2,14,15,16,18)
InChIKeyBCODTYDYUDSIRZ-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

Analyze 2-(3-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

Related Compounds

4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
2-(1,3-benzodioxol-5-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135764116
6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
CID 45093594
butyl 3-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779121
propyl 4-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]benzoate
CID 135749149
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
butyl 3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779119
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one
CID 135894942

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one (CID 135443968) is 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2cccc(O)c2)n1.
What is the InChIKey of 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is BCODTYDYUDSIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-4-9-8-12(18)16-13(14-9)15-10-5-3-6-11(17)7-10/h3,5-8,17H,2,4H2,1H3,(H2,14,15,16,18).
What are the key properties of 2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one?
2-(3-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-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135443968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).