1-(3-phenylpropyl)-3-pyrazin-2-ylurea

C14H16N4O — CID 108893900

IUPAC1-(3-phenylpropyl)-3-pyrazin-2-ylurea
SMILESO=C(NCCCc1ccccc1)Nc1cnccn1
InChIInChI=1S/C14H16N4O/c19-14(18-13-11-15-9-10-16-13)17-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,16,17,18,19)
InChIKeyBQZXRWYPHPMIMB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-phenylpropyl)-3-pyrazin-2-ylurea

1-(3-phenylpropyl)-3-pyrazin-2-ylurea (PubChem CID 108893900) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-pyrazin-2-ylurea
PubChem CID108893900
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(3-phenylpropyl)-3-pyrazin-2-ylurea
SMILESO=C(NCCCc1ccccc1)Nc1cnccn1
InChIInChI=1S/C14H16N4O/c19-14(18-13-11-15-9-10-16-13)17-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,16,17,18,19)
InChIKeyBQZXRWYPHPMIMB-UHFFFAOYSA-N
XLogP2.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
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
4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen
CID 142167548
6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
3-(pyrazin-2-ylcarbamoylamino)propanoic acid
CID 110492132
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3-phenylpropyl)-3-pyrazin-2-ylurea (CID 108893900) is 1-(3-phenylpropyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3-phenylpropyl)-3-pyrazin-2-ylurea is O=C(NCCCc1ccccc1)Nc1cnccn1.
What is the InChIKey of 1-(3-phenylpropyl)-3-pyrazin-2-ylurea?
The InChIKey is BQZXRWYPHPMIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(18-13-11-15-9-10-16-13)17-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H2,16,17,18,19).
What are the key properties of 1-(3-phenylpropyl)-3-pyrazin-2-ylurea?
1-(3-phenylpropyl)-3-pyrazin-2-ylurea has a molecular weight of 256.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 108893900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).