1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea

C13H14N4O — CID 24819578

IUPAC1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea
SMILESCc1cccc(NC(=O)Nc2cnccn2)c1C
InChIInChI=1S/C13H14N4O/c1-9-4-3-5-11(10(9)2)16-13(18)17-12-8-14-6-7-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyAIGFIFAQCKBGFS-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea

1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea (PubChem CID 24819578) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea
PubChem CID24819578
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea
SMILESCc1cccc(NC(=O)Nc2cnccn2)c1C
InChIInChI=1S/C13H14N4O/c1-9-4-3-5-11(10(9)2)16-13(18)17-12-8-14-6-7-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyAIGFIFAQCKBGFS-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea (CID 24819578) is 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea is Cc1cccc(NC(=O)Nc2cnccn2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is AIGFIFAQCKBGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-4-3-5-11(10(9)2)16-13(18)17-12-8-14-6-7-15-12/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea?
1-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea 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-(2,3-dimethylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 24819578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).