1,1-dibutyl-3-pyrazin-2-ylurea

C13H22N4O — CID 108893837

IUPAC1,1-dibutyl-3-pyrazin-2-ylurea
SMILESCCCCN(CCCC)C(=O)Nc1cnccn1
InChIInChI=1S/C13H22N4O/c1-3-5-9-17(10-6-4-2)13(18)16-12-11-14-7-8-15-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16,18)
InChIKeySCRMXNZGWVDOJN-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.91
Rot. Bonds7

About 1,1-dibutyl-3-pyrazin-2-ylurea

1,1-dibutyl-3-pyrazin-2-ylurea (PubChem CID 108893837) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,1-dibutyl-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1,1-dibutyl-3-pyrazin-2-ylurea
PubChem CID108893837
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1,1-dibutyl-3-pyrazin-2-ylurea
SMILESCCCCN(CCCC)C(=O)Nc1cnccn1
InChIInChI=1S/C13H22N4O/c1-3-5-9-17(10-6-4-2)13(18)16-12-11-14-7-8-15-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16,18)
InChIKeySCRMXNZGWVDOJN-UHFFFAOYSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrazin-2-ylpentanamide
CID 91469646
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
N',N'-diethyl-N-pyrazin-2-ylbutanediamide
CID 75508705
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906
1-[(2Z,4Z)-3-amino-6-(4-methyl-3-pyridinyl)hepta-2,4,6-trien-2-yl]-1-hexyl-3-pyrazin-2-ylurea
CID 137401244
2-hydroxy-2-methyl-N-pyrazin-2-ylpropanamide
CID 103429544
3-(ethylamino)-2-methyl-N-pyrazin-2-ylpropanamide
CID 62853429

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-pyrazin-2-ylurea?
The IUPAC name of 1,1-dibutyl-3-pyrazin-2-ylurea (CID 108893837) is 1,1-dibutyl-3-pyrazin-2-ylurea.
What is the SMILES notation for 1,1-dibutyl-3-pyrazin-2-ylurea?
The canonical SMILES for 1,1-dibutyl-3-pyrazin-2-ylurea is CCCCN(CCCC)C(=O)Nc1cnccn1.
What is the InChIKey of 1,1-dibutyl-3-pyrazin-2-ylurea?
The InChIKey is SCRMXNZGWVDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-9-17(10-6-4-2)13(18)16-12-11-14-7-8-15-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16,18).
What are the key properties of 1,1-dibutyl-3-pyrazin-2-ylurea?
1,1-dibutyl-3-pyrazin-2-ylurea has a molecular weight of 250.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-pyrazin-2-ylurea is sourced from PubChem (CID 108893837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).