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

C15H17N5O2 — CID 110492463

IUPAC1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H17N5O2/c21-15(19-14-11-16-5-6-17-14)18-12-3-1-2-4-13(12)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H2,17,18,19,21)
InChIKeyGETHMXRODGTYIB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.96
Rot. Bonds3

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

1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea (PubChem CID 110492463) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
PubChem CID110492463
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C15H17N5O2/c21-15(19-14-11-16-5-6-17-14)18-12-3-1-2-4-13(12)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H2,17,18,19,21)
InChIKeyGETHMXRODGTYIB-UHFFFAOYSA-N
XLogP1.96
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea (CID 110492463) is 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is GETHMXRODGTYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-15(19-14-11-16-5-6-17-14)18-12-3-1-2-4-13(12)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H2,17,18,19,21).
What are the key properties of 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea?
1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 299.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).