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

C14H17N3O2 — CID 135461301

IUPAC2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-11-6-4-10(5-7-11)8-12-9(2)16-14(15)17-13(12)18/h4-7H,3,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyWATXCYJQUBTTOF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds4

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

2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135461301) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135461301
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-11-6-4-10(5-7-11)8-12-9(2)16-14(15)17-13(12)18/h4-7H,3,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyWATXCYJQUBTTOF-UHFFFAOYSA-N
XLogP1.65
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[(4-ethoxyphenyl)methyl]-4-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-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one (CID 135461301) is 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one is CCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)cc1.
What is the InChIKey of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WATXCYJQUBTTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-11-6-4-10(5-7-11)8-12-9(2)16-14(15)17-13(12)18/h4-7H,3,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-ethoxyphenyl)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135461301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).