1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea

C19H17N7O — CID 139535363

IUPAC1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea
SMILESN#Cc1nccc(C2(NC(=O)Nc3ccc4nccnc4c3)CCCC2)n1
InChIInChI=1S/C19H17N7O/c20-12-17-23-8-5-16(25-17)19(6-1-2-7-19)26-18(27)24-13-3-4-14-15(11-13)22-10-9-21-14/h3-5,8-11H,1-2,6-7H2,(H2,24,26,27)
InChIKeyALCFFIHIHCCEGF-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.88
Rot. Bonds3

About 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea (PubChem CID 139535363) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea.

Molecular Properties

Compound Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea
PubChem CID139535363
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea
SMILESN#Cc1nccc(C2(NC(=O)Nc3ccc4nccnc4c3)CCCC2)n1
InChIInChI=1S/C19H17N7O/c20-12-17-23-8-5-16(25-17)19(6-1-2-7-19)26-18(27)24-13-3-4-14-15(11-13)22-10-9-21-14/h3-5,8-11H,1-2,6-7H2,(H2,24,26,27)
InChIKeyALCFFIHIHCCEGF-UHFFFAOYSA-N
XLogP2.88
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(3,4-dimethylphenyl)urea
CID 139535351
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-methylphenyl)urea
CID 139535355
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-phenylurea
CID 139535233
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 139535271
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
CID 150515744
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-[5-fluoro-2-(trifluoromethyl)phenyl]urea
CID 151422028
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-[4-(4-propan-2-ylpiperidin-1-yl)phenyl]urea
CID 151045981
1-[4-[4-(4-acetylpiperazin-1-yl)phenyl]phenyl]-3-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]urea
CID 150847256
1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]urea
CID 139535406
2-cyano-4-[1-[[4-[4-[(sulfinoamino)methyl]phenyl]-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]pyrimidine
CID 174224932
4-[4-[[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamoylamino]-2-fluorophenyl]benzoic acid;1-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]-3-(3-fluoro-4-iodophenyl)urea;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CID 158049376
(4-fluorophenyl)methyl N-[1-(2-cyanopyrimidin-4-yl)cyclohexyl]carbamate
CID 153348294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea?
The IUPAC name of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea (CID 139535363) is 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea.
What is the SMILES notation for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea?
The canonical SMILES for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea is N#Cc1nccc(C2(NC(=O)Nc3ccc4nccnc4c3)CCCC2)n1.
What is the InChIKey of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea?
The InChIKey is ALCFFIHIHCCEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c20-12-17-23-8-5-16(25-17)19(6-1-2-7-19)26-18(27)24-13-3-4-14-15(11-13)22-10-9-21-14/h3-5,8-11H,1-2,6-7H2,(H2,24,26,27).
What are the key properties of 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea?
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea has a molecular weight of 359.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-quinoxalin-6-ylurea is sourced from PubChem (CID 139535363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).