1-pentyl-3-pyrazin-2-ylurea

C10H16N4O — CID 110492127

IUPAC1-pentyl-3-pyrazin-2-ylurea
SMILESCCCCCNC(=O)Nc1cnccn1
InChIInChI=1S/C10H16N4O/c1-2-3-4-5-13-10(15)14-9-8-11-6-7-12-9/h6-8H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyGTPHDMVXXXOVFW-UHFFFAOYSA-N
MW208.27 g/mol
LogP1.79
Rot. Bonds5

About 1-pentyl-3-pyrazin-2-ylurea

1-pentyl-3-pyrazin-2-ylurea (PubChem CID 110492127) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-pentyl-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-pentyl-3-pyrazin-2-ylurea
PubChem CID110492127
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name1-pentyl-3-pyrazin-2-ylurea
SMILESCCCCCNC(=O)Nc1cnccn1
InChIInChI=1S/C10H16N4O/c1-2-3-4-5-13-10(15)14-9-8-11-6-7-12-9/h6-8H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyGTPHDMVXXXOVFW-UHFFFAOYSA-N
XLogP1.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
N-pyrazin-2-ylpentanamide
CID 91469646
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
1,1-dibutyl-3-pyrazin-2-ylurea
CID 108893837
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-pyrazin-2-ylurea?
The IUPAC name of 1-pentyl-3-pyrazin-2-ylurea (CID 110492127) is 1-pentyl-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-pentyl-3-pyrazin-2-ylurea?
The canonical SMILES for 1-pentyl-3-pyrazin-2-ylurea is CCCCCNC(=O)Nc1cnccn1.
What is the InChIKey of 1-pentyl-3-pyrazin-2-ylurea?
The InChIKey is GTPHDMVXXXOVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-3-4-5-13-10(15)14-9-8-11-6-7-12-9/h6-8H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 1-pentyl-3-pyrazin-2-ylurea?
1-pentyl-3-pyrazin-2-ylurea has a molecular weight of 208.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).