6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione

C14H17N3O2 — CID 7080834

IUPAC6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(Nc2ccc(C)c(C)c2)[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-4-17-13(18)8-12(16-14(17)19)15-11-6-5-9(2)10(3)7-11/h5-8,15H,4H2,1-3H3,(H,16,19)
InChIKeyZGLXSQMPMCKTBF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.92
Rot. Bonds3

About 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione

6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 7080834) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID7080834
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(Nc2ccc(C)c(C)c2)[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-4-17-13(18)8-12(16-14(17)19)15-11-6-5-9(2)10(3)7-11/h5-8,15H,4H2,1-3H3,(H,16,19)
InChIKeyZGLXSQMPMCKTBF-UHFFFAOYSA-N
XLogP1.92
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dimethylanilino)-3-ethyl-1H-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 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione (CID 7080834) is 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(Nc2ccc(C)c(C)c2)[nH]c1=O.
What is the InChIKey of 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZGLXSQMPMCKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-17-13(18)8-12(16-14(17)19)15-11-6-5-9(2)10(3)7-11/h5-8,15H,4H2,1-3H3,(H,16,19).
What are the key properties of 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione?
6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7080834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).