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

C13H15N3O2 — CID 777113

IUPAC1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
SMILESCc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-4-6-10(7-5-9)14-11-8-12(17)16(3)13(18)15(11)2/h4-8,14H,1-3H3
InChIKeyZAXVAVJUYTUDSX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds2

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

1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione (PubChem CID 777113) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
PubChem CID777113
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
SMILESCc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-4-6-10(7-5-9)14-11-8-12(17)16(3)13(18)15(11)2/h4-8,14H,1-3H3
InChIKeyZAXVAVJUYTUDSX-UHFFFAOYSA-N
XLogP1.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-6-(4-methylanilino)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-(4-methylanilino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione (CID 777113) is 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione is Cc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1.
What is the InChIKey of 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione?
The InChIKey is ZAXVAVJUYTUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-6-10(7-5-9)14-11-8-12(17)16(3)13(18)15(11)2/h4-8,14H,1-3H3.
What are the key properties of 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione is sourced from PubChem (CID 777113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).