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

C14H19N5O — CID 46235785

IUPAC1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC1CCCC(NC(=O)Nc2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C14H19N5O/c1-9-3-2-4-10(7-9)17-14(20)19-12-8-16-13-11(18-12)5-6-15-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)(H2,17,18,19,20)
InChIKeyUDLRVVWAFYHEBQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.66
Rot. Bonds2

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

1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (PubChem CID 46235785) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PubChem CID46235785
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC1CCCC(NC(=O)Nc2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C14H19N5O/c1-9-3-2-4-10(7-9)17-14(20)19-12-8-16-13-11(18-12)5-6-15-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)(H2,17,18,19,20)
InChIKeyUDLRVVWAFYHEBQ-UHFFFAOYSA-N
XLogP2.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamoylamino)cyclopentane-1-carboxamide
CID 59363362
1-[(1S,2R)-2-methylcycloheptyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46234076
1-[(3S)-1-acetylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46236114
(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamoylamino)pyrrolidine-1-carboxylic acid
CID 140552160
1-(1-cyclopropylsulfonylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46233745
1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46234561
1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 67385649
5H-pyrrolo[2,3-b]pyrazin-2-ylurea
CID 67385138
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-(1-phenylethyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 75181326
1-[(1-propan-2-ylsulfonylpyrrolidin-2-yl)methyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 59363357
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The IUPAC name of 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (CID 46235785) is 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is CC1CCCC(NC(=O)Nc2cnc3[nH]ccc3n2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The InChIKey is UDLRVVWAFYHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-3-2-4-10(7-9)17-14(20)19-12-8-16-13-11(18-12)5-6-15-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)(H2,17,18,19,20).
What are the key properties of 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is sourced from PubChem (CID 46235785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).