3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one

C13H15N3O2 — CID 63767954

IUPAC3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
SMILESCOc1ccc(C(N)Cn2cnccc2=O)cc1
InChIInChI=1S/C13H15N3O2/c1-18-11-4-2-10(3-5-11)12(14)8-16-9-15-7-6-13(16)17/h2-7,9,12H,8,14H2,1H3
InChIKeyWDYIRLUAEGIANR-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.95
Rot. Bonds4

About 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one

3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one (PubChem CID 63767954) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
PubChem CID63767954
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
SMILESCOc1ccc(C(N)Cn2cnccc2=O)cc1
InChIInChI=1S/C13H15N3O2/c1-18-11-4-2-10(3-5-11)12(14)8-16-9-15-7-6-13(16)17/h2-7,9,12H,8,14H2,1H3
InChIKeyWDYIRLUAEGIANR-UHFFFAOYSA-N
XLogP0.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-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

3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 63770409
3-[2-amino-2-(4-tert-butylphenyl)ethyl]pyrimidin-4-one
CID 63767962
3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224182
3-[2-amino-2-(3,4-difluorophenyl)ethyl]pyrimidin-4-one
CID 107522672
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one (CID 63767954) is 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one is COc1ccc(C(N)Cn2cnccc2=O)cc1.
What is the InChIKey of 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one?
The InChIKey is WDYIRLUAEGIANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-11-4-2-10(3-5-11)12(14)8-16-9-15-7-6-13(16)17/h2-7,9,12H,8,14H2,1H3.
What are the key properties of 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one?
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63767954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).