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

C15H18N4O — CID 17263249

IUPAC1-(4-butylphenyl)-3-pyrazin-2-ylurea
SMILESCCCCc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H18N4O/c1-2-3-4-12-5-7-13(8-6-12)18-15(20)19-14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H2,17,18,19,20)
InChIKeyQOOHIUQBSHRKNT-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.46
Rot. Bonds5

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

1-(4-butylphenyl)-3-pyrazin-2-ylurea (PubChem CID 17263249) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-pyrazin-2-ylurea
PubChem CID17263249
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(4-butylphenyl)-3-pyrazin-2-ylurea
SMILESCCCCc1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H18N4O/c1-2-3-4-12-5-7-13(8-6-12)18-15(20)19-14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H2,17,18,19,20)
InChIKeyQOOHIUQBSHRKNT-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-(4-butylphenyl)-3-(1-phenylimidazol-4-yl)urea
CID 153390069
N-pyrazin-2-ylpentanamide
CID 91469646
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
CID 86577325
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
2-(diethylamino)ethyl 4-(pyrazin-2-ylcarbamoylamino)benzoate
CID 110492639
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-butylphenyl)-3-pyrazin-2-ylurea (CID 17263249) is 1-(4-butylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-butylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-butylphenyl)-3-pyrazin-2-ylurea is CCCCc1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is QOOHIUQBSHRKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-4-12-5-7-13(8-6-12)18-15(20)19-14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-butylphenyl)-3-pyrazin-2-ylurea?
1-(4-butylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 270.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 17263249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).