1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea

C19H18N4O2 — CID 53118213

IUPAC1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea
SMILESCc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccccc3)c2=O)c1
InChIInChI=1S/C19H18N4O2/c1-13-10-14(2)12-16(11-13)23-9-8-20-17(18(23)24)22-19(25)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,20,21,22,25)
InChIKeyVILTZRZRGNFEKU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.49
Rot. Bonds3

About 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea

1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea (PubChem CID 53118213) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea
PubChem CID53118213
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea
SMILESCc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccccc3)c2=O)c1
InChIInChI=1S/C19H18N4O2/c1-13-10-14(2)12-16(11-13)23-9-8-20-17(18(23)24)22-19(25)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,20,21,22,25)
InChIKeyVILTZRZRGNFEKU-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea (CID 53118213) is 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea is Cc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccccc3)c2=O)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The InChIKey is VILTZRZRGNFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-10-14(2)12-16(11-13)23-9-8-20-17(18(23)24)22-19(25)21-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,20,21,22,25).
What are the key properties of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea 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-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea is sourced from PubChem (CID 53118213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).