5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one

C13H15N3O3 — CID 132587945

IUPAC5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(CNc2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O3/c1-2-19-10-5-3-9(4-6-10)7-14-11-12(17)15-8-16-13(11)18/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyZFXNZJZNQAASIZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.49
Rot. Bonds5

About 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one

5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 132587945) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID132587945
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(CNc2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C13H15N3O3/c1-2-19-10-5-3-9(4-6-10)7-14-11-12(17)15-8-16-13(11)18/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyZFXNZJZNQAASIZ-UHFFFAOYSA-N
XLogP1.49
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(4-ethoxyphenyl)methylamino]-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

Related Compounds

5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 132587943
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(4-ethoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46858927
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
CID 65263874
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691852
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one (CID 132587945) is 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one is CCOc1ccc(CNc2c(O)nc[nH]c2=O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZFXNZJZNQAASIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-10-5-3-9(4-6-10)7-14-11-12(17)15-8-16-13(11)18/h3-6,8,14H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one?
5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 261.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 132587945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).