3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one

C14H17N3O — CID 63768475

IUPAC3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2ccccc2)c(C)n1
InChIInChI=1S/C14H17N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15)12-6-4-3-5-7-12/h3-8,13H,9,15H2,1-2H3
InChIKeyFYTVDRRSGOCHRE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds3

About 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one

3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63768475) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63768475
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2ccccc2)c(C)n1
InChIInChI=1S/C14H17N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15)12-6-4-3-5-7-12/h3-8,13H,9,15H2,1-2H3
InChIKeyFYTVDRRSGOCHRE-UHFFFAOYSA-N
XLogP1.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one (CID 63768475) is 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(N)c2ccccc2)c(C)n1.
What is the InChIKey of 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is FYTVDRRSGOCHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15)12-6-4-3-5-7-12/h3-8,13H,9,15H2,1-2H3.
What are the key properties of 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one?
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63768475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).