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

C13H14N4O — CID 17278231

IUPAC1-(4-ethylphenyl)-3-pyrazin-2-ylurea
SMILESCCc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C13H14N4O/c1-2-10-3-5-11(6-4-10)16-13(18)17-12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyHHAQDKLZSYFFAZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.68
Rot. Bonds3

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

1-(4-ethylphenyl)-3-pyrazin-2-ylurea (PubChem CID 17278231) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-pyrazin-2-ylurea
PubChem CID17278231
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(4-ethylphenyl)-3-pyrazin-2-ylurea
SMILESCCc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C13H14N4O/c1-2-10-3-5-11(6-4-10)16-13(18)17-12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyHHAQDKLZSYFFAZ-UHFFFAOYSA-N
XLogP2.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(4-Methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-ethylphenyl)-3-pyrazin-2-ylurea (CID 17278231) is 1-(4-ethylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-ethylphenyl)-3-pyrazin-2-ylurea is CCc1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is HHAQDKLZSYFFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-10-3-5-11(6-4-10)16-13(18)17-12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-ethylphenyl)-3-pyrazin-2-ylurea?
1-(4-ethylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 242.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 17278231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).