2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C15H19N3O3 — CID 5345946

IUPAC2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C15H19N3O3/c1-2-3-8-21-11-6-4-10(5-7-11)9-12-13(19)17-15(16)18-14(12)20/h4-7H,2-3,8-9H2,1H3,(H4,16,17,18,19,20)
InChIKeyGAELRKYUQCWCND-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 5345946) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID5345946
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C15H19N3O3/c1-2-3-8-21-11-6-4-10(5-7-11)9-12-13(19)17-15(16)18-14(12)20/h4-7H,2-3,8-9H2,1H3,(H4,16,17,18,19,20)
InChIKeyGAELRKYUQCWCND-UHFFFAOYSA-N
XLogP1.83
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-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-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 5345946) is 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is CCCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1.
What is the InChIKey of 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GAELRKYUQCWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-3-8-21-11-6-4-10(5-7-11)9-12-13(19)17-15(16)18-14(12)20/h4-7H,2-3,8-9H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-butoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 5345946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).