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

C14H16N4O — CID 6464582

IUPAC1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea
SMILESCC(C)c1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C14H16N4O/c1-10(2)11-3-5-12(6-4-11)17-14(19)18-13-9-15-7-8-16-13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyKCDIQOBGBAOTIT-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.24
Rot. Bonds3

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

1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea (PubChem CID 6464582) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea
PubChem CID6464582
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea
SMILESCC(C)c1ccc(NC(=O)Nc2cnccn2)cc1
InChIInChI=1S/C14H16N4O/c1-10(2)11-3-5-12(6-4-11)17-14(19)18-13-9-15-7-8-16-13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyKCDIQOBGBAOTIT-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea (CID 6464582) is 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea is CC(C)c1ccc(NC(=O)Nc2cnccn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is KCDIQOBGBAOTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(2)11-3-5-12(6-4-11)17-14(19)18-13-9-15-7-8-16-13/h3-10H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea?
1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 256.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 6464582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).