1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea

C18H15ClN4O2 — CID 53118243

IUPAC1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea
SMILESCc1ccc(Cl)cc1-n1ccnc(NC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C18H15ClN4O2/c1-12-7-8-13(19)11-15(12)23-10-9-20-16(17(23)24)22-18(25)21-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,21,22,25)
InChIKeyPYWLWYAMVYKPED-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.84
Rot. Bonds3

About 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea

1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea (PubChem CID 53118243) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea
PubChem CID53118243
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea
SMILESCc1ccc(Cl)cc1-n1ccnc(NC(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C18H15ClN4O2/c1-12-7-8-13(19)11-15(12)23-10-9-20-16(17(23)24)22-18(25)21-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,21,22,25)
InChIKeyPYWLWYAMVYKPED-UHFFFAOYSA-N
XLogP3.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea (CID 53118243) is 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea is Cc1ccc(Cl)cc1-n1ccnc(NC(=O)Nc2ccccc2)c1=O.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
The InChIKey is PYWLWYAMVYKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-12-7-8-13(19)11-15(12)23-10-9-20-16(17(23)24)22-18(25)21-14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,21,22,25).
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea?
1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea has a molecular weight of 354.80 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)-3-oxopyrazin-2-yl]-3-phenylurea is sourced from PubChem (CID 53118243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).