1-(2-chlorophenyl)-3-pyrazin-2-ylurea

C11H9ClN4O — CID 5078272

IUPAC1-(2-chlorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-2-4-9(8)15-11(17)16-10-7-13-5-6-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyOCBZOEJCKOSZOR-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.77
Rot. Bonds2

About 1-(2-chlorophenyl)-3-pyrazin-2-ylurea

1-(2-chlorophenyl)-3-pyrazin-2-ylurea (PubChem CID 5078272) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-pyrazin-2-ylurea
PubChem CID5078272
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name1-(2-chlorophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccccc1Cl
InChIInChI=1S/C11H9ClN4O/c12-8-3-1-2-4-9(8)15-11(17)16-10-7-13-5-6-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyOCBZOEJCKOSZOR-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
CID 24859295
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(2-chlorophenyl)-3-(5-iodo-2-pyridinyl)urea
CID 65098518
1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
CID 10016910
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492463
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
CID 61292988
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
CID 47388450

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-chlorophenyl)-3-pyrazin-2-ylurea (CID 5078272) is 1-(2-chlorophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-chlorophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-pyrazin-2-ylurea?
The InChIKey is OCBZOEJCKOSZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-8-3-1-2-4-9(8)15-11(17)16-10-7-13-5-6-14-10/h1-7H,(H2,14,15,16,17).
What are the key properties of 1-(2-chlorophenyl)-3-pyrazin-2-ylurea?
1-(2-chlorophenyl)-3-pyrazin-2-ylurea has a molecular weight of 248.67 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 5078272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).