1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea

C13H14N4O — CID 2800613

IUPAC1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea
SMILESCc1cnc(NC(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C13H14N4O/c1-9-8-14-12(10(2)15-9)17-13(18)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,16,17,18)
InChIKeyWLGJZNDCVPNRJW-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds2

About 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea

1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea (PubChem CID 2800613) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea
PubChem CID2800613
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea
SMILESCc1cnc(NC(=O)Nc2ccccc2)c(C)n1
InChIInChI=1S/C13H14N4O/c1-9-8-14-12(10(2)15-9)17-13(18)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,16,17,18)
InChIKeyWLGJZNDCVPNRJW-UHFFFAOYSA-N
XLogP2.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-2-Pyridylaniline
CID 81130
N-Phenyl-N'-2-pyridinylurea
CID 221427
3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
N-methylquinoxalin-2-amine
CID 351423
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
2-N-phenylpyridine-2,3-diamine
CID 10679091
1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea?
The IUPAC name of 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea (CID 2800613) is 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea?
The canonical SMILES for 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea is Cc1cnc(NC(=O)Nc2ccccc2)c(C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea?
The InChIKey is WLGJZNDCVPNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-8-14-12(10(2)15-9)17-13(18)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,16,17,18).
What are the key properties of 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea?
1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea has a molecular weight of 242.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazin-2-yl)-3-phenylurea is sourced from PubChem (CID 2800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).