1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea

C15H18N4O — CID 6468486

IUPAC1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea
SMILESCCC(C)c1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H18N4O/c1-3-11(2)12-4-6-13(7-5-12)18-15(20)19-14-10-16-8-9-17-14/h4-11H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyAEDNDYCJWUOKSB-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea

1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea (PubChem CID 6468486) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea
PubChem CID6468486
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea
SMILESCCC(C)c1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H18N4O/c1-3-11(2)12-4-6-13(7-5-12)18-15(20)19-14-10-16-8-9-17-14/h4-11H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyAEDNDYCJWUOKSB-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.63
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
1-Phenyl-3-pyrazin-2-ylurea
CID 5044232
1-[4-(Propan-2-yl)phenyl]-3-pyrazin-2-ylurea
CID 6464582
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
2-(Phenylamino)-6-(3-acetamidophenyl)pyrazine
CID 11515006
N-(3,5-dimethylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222609
1-(4-Butylphenyl)-3-pyridin-3-ylurea
CID 6464443
1-(2,3-Dimethylphenyl)-3-pyridin-2-ylurea
CID 6465533
1-Pyrazin-2-yl-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 16014783
1-(4-Butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
1-(3-Fluorophenyl)-3-pyrazin-2-ylurea
CID 19916756

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea (CID 6468486) is 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea is CCC(C)c1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is AEDNDYCJWUOKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-11(2)12-4-6-13(7-5-12)18-15(20)19-14-10-16-8-9-17-14/h4-11H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea?
1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 270.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 6468486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).