2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one

C13H15N3O4 — CID 12577393

IUPAC2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cc2cnc(N)[nH]c2=O)cc(OC)c1O
InChIInChI=1S/C13H15N3O4/c1-19-9-4-7(5-10(20-2)11(9)17)3-8-6-15-13(14)16-12(8)18/h4-6,17H,3H2,1-2H3,(H3,14,15,16,18)
InChIKeyGCGONLKCVURQKO-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one

2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 12577393) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID12577393
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cc2cnc(N)[nH]c2=O)cc(OC)c1O
InChIInChI=1S/C13H15N3O4/c1-19-9-4-7(5-10(20-2)11(9)17)3-8-6-15-13(14)16-12(8)18/h4-6,17H,3H2,1-2H3,(H3,14,15,16,18)
InChIKeyGCGONLKCVURQKO-UHFFFAOYSA-N
XLogP0.67
TPSA110.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-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-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 12577393) is 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1cc(Cc2cnc(N)[nH]c2=O)cc(OC)c1O.
What is the InChIKey of 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is GCGONLKCVURQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-19-9-4-7(5-10(20-2)11(9)17)3-8-6-15-13(14)16-12(8)18/h4-6,17H,3H2,1-2H3,(H3,14,15,16,18).
What are the key properties of 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 277.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 12577393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).