1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione

C14H17N3O2 — CID 777231

IUPAC1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione
SMILESCn1c(NCCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O2/c1-16-12(10-13(18)17(2)14(16)19)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChIKeyXUGVMBMQHABPQC-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.74
Rot. Bonds4

About 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione

1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione (PubChem CID 777231) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione
PubChem CID777231
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione
SMILESCn1c(NCCc2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O2/c1-16-12(10-13(18)17(2)14(16)19)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChIKeyXUGVMBMQHABPQC-UHFFFAOYSA-N
XLogP0.74
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione 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 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione (CID 777231) is 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione is Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione?
The InChIKey is XUGVMBMQHABPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-12(10-13(18)17(2)14(16)19)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-phenylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 777231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).