1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea

C12H11ClN4O — CID 110492285

IUPAC1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
SMILESO=C(NCc1ccccc1Cl)Nc1cnccn1
InChIInChI=1S/C12H11ClN4O/c13-10-4-2-1-3-9(10)7-16-12(18)17-11-8-14-5-6-15-11/h1-6,8H,7H2,(H2,15,16,17,18)
InChIKeyRZUOZEIHEMFLNC-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.45
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea

1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea (PubChem CID 110492285) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
PubChem CID110492285
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
SMILESO=C(NCc1ccccc1Cl)Nc1cnccn1
InChIInChI=1S/C12H11ClN4O/c13-10-4-2-1-3-9(10)7-16-12(18)17-11-8-14-5-6-15-11/h1-6,8H,7H2,(H2,15,16,17,18)
InChIKeyRZUOZEIHEMFLNC-UHFFFAOYSA-N
XLogP2.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
CID 24859295
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
CID 60799259

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea (CID 110492285) is 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea is O=C(NCc1ccccc1Cl)Nc1cnccn1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea?
The InChIKey is RZUOZEIHEMFLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-10-4-2-1-3-9(10)7-16-12(18)17-11-8-14-5-6-15-11/h1-6,8H,7H2,(H2,15,16,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea?
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea has a molecular weight of 262.70 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).