1-(4-methylphenyl)-3-pyrazin-2-ylurea

C12H12N4O — CID 12628631

IUPAC1-(4-methylphenyl)-3-pyrazin-2-ylurea
SMILESCc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C12H12N4O/c1-9-2-4-10(5-3-9)15-12(17)16-11-8-13-6-7-14-11/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyXFSDWGWRKPVERM-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.43
Rot. Bonds2

About 1-(4-methylphenyl)-3-pyrazin-2-ylurea

1-(4-methylphenyl)-3-pyrazin-2-ylurea (PubChem CID 12628631) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-pyrazin-2-ylurea
PubChem CID12628631
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name1-(4-methylphenyl)-3-pyrazin-2-ylurea
SMILESCc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C12H12N4O/c1-9-2-4-10(5-3-9)15-12(17)16-11-8-13-6-7-14-11/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyXFSDWGWRKPVERM-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyl-N'-2-pyridinylurea
CID 221427
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N~3~-Benzylpyridine-2,3-diamine
CID 10397869
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669
1-Phenyl-3-pyrazin-2-ylurea
CID 5044232
N-(4-isopropylphenyl)-N'-2-pyrazinylurea
CID 6464582
1-(4-Bromophenyl)-3-pyrazin-2-ylurea
CID 17378581
n-Benzylpyrazin-2-amine
CID 269234
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
N-(4-methylbenzyl)-2-pyrazinamine
CID 3352268

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-methylphenyl)-3-pyrazin-2-ylurea (CID 12628631) is 1-(4-methylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-methylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-methylphenyl)-3-pyrazin-2-ylurea is Cc1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is XFSDWGWRKPVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-2-4-10(5-3-9)15-12(17)16-11-8-13-6-7-14-11/h2-8H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(4-methylphenyl)-3-pyrazin-2-ylurea?
1-(4-methylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 228.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 12628631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).