1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea

C19H18N4O2 — CID 53118332

IUPAC1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)c1
InChIInChI=1S/C19H18N4O2/c1-13-10-14(2)12-15(11-13)21-19(25)22-17-18(24)23(9-8-20-17)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,20,21,22,25)
InChIKeyTUANUUUVECKMNM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.49
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea

1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea (PubChem CID 53118332) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
PubChem CID53118332
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)c1
InChIInChI=1S/C19H18N4O2/c1-13-10-14(2)12-15(11-13)21-19(25)22-17-18(24)23(9-8-20-17)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,20,21,22,25)
InChIKeyTUANUUUVECKMNM-UHFFFAOYSA-N
XLogP3.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea 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-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea (CID 53118332) is 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea is Cc1cc(C)cc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The InChIKey is TUANUUUVECKMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-10-14(2)12-15(11-13)21-19(25)22-17-18(24)23(9-8-20-17)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,20,21,22,25).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea has a molecular weight of 334.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea is sourced from PubChem (CID 53118332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).