1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

C15H15N5O — CID 75181326

IUPAC1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC(NC(=O)Nc1cnc2[nH]ccc2n1)c1ccccc1
InChIInChI=1S/C15H15N5O/c1-10(11-5-3-2-4-6-11)18-15(21)20-13-9-17-14-12(19-13)7-8-16-14/h2-10H,1H3,(H,16,17)(H2,18,19,20,21)
InChIKeyJTZWNWSIJYKURO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.84
Rot. Bonds3

About 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (PubChem CID 75181326) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PubChem CID75181326
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC(NC(=O)Nc1cnc2[nH]ccc2n1)c1ccccc1
InChIInChI=1S/C15H15N5O/c1-10(11-5-3-2-4-6-11)18-15(21)20-13-9-17-14-12(19-13)7-8-16-14/h2-10H,1H3,(H,16,17)(H2,18,19,20,21)
InChIKeyJTZWNWSIJYKURO-UHFFFAOYSA-N
XLogP2.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 67385649
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enamide
CID 172683300
1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123850949
1-(7-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-[(1R)-1-phenylethyl]urea
CID 145106159
1-(1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 127566989
N-tert-butyl-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 162470615
trans-(1S,3S)-N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamoylamino)cyclopentane-1-carboxamide
CID 59363362
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
1-(3-ethyl-4-imino-5-oxohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 174634677
1-[(1-propan-2-ylsulfonylpyrrolidin-2-yl)methyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 59363357
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The IUPAC name of 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (CID 75181326) is 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.
What is the SMILES notation for 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The canonical SMILES for 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is CC(NC(=O)Nc1cnc2[nH]ccc2n1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The InChIKey is JTZWNWSIJYKURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(11-5-3-2-4-6-11)18-15(21)20-13-9-17-14-12(19-13)7-8-16-14/h2-10H,1H3,(H,16,17)(H2,18,19,20,21).
What are the key properties of 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea has a molecular weight of 281.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is sourced from PubChem (CID 75181326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).