1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea

C15H21N7O — CID 128764240

IUPAC1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
SMILESN#CC1CCCC1NC(=O)Nc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C15H21N7O/c16-8-11-2-1-3-13(11)21-15(23)20-12-9-18-14(19-10-12)22-6-4-17-5-7-22/h9-11,13,17H,1-7H2,(H2,20,21,23)
InChIKeyFBICMHMGBSWBQK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.70
Rot. Bonds3

About 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea

1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea (PubChem CID 128764240) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
PubChem CID128764240
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
SMILESN#CC1CCCC1NC(=O)Nc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C15H21N7O/c16-8-11-2-1-3-13(11)21-15(23)20-12-9-18-14(19-10-12)22-6-4-17-5-7-22/h9-11,13,17H,1-7H2,(H2,20,21,23)
InChIKeyFBICMHMGBSWBQK-UHFFFAOYSA-N
XLogP0.70
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperazin-1-ylpyrimidin-5-yl)spiro[3.3]heptane-3-carboxamide
CID 166295473
1-[(1S,2R)-2-cyanocyclopentyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 97347739
1-[1-(oxan-3-yl)ethyl]-3-(2-piperazin-1-ylpyrimidin-5-yl)urea
CID 128764238
1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
CID 97347731
4,4-difluoro-3-methyl-N-(2-piperazin-1-ylpyrimidin-5-yl)piperidine-1-carboxamide
CID 128764131
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161311002
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298481
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-(2-cyanocyclopentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62961249
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755745

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
The IUPAC name of 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea (CID 128764240) is 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea is N#CC1CCCC1NC(=O)Nc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
The InChIKey is FBICMHMGBSWBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c16-8-11-2-1-3-13(11)21-15(23)20-12-9-18-14(19-10-12)22-6-4-17-5-7-22/h9-11,13,17H,1-7H2,(H2,20,21,23).
What are the key properties of 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea?
1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea has a molecular weight of 315.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanocyclopentyl)-3-(2-piperazin-1-ylpyrimidin-5-yl)urea is sourced from PubChem (CID 128764240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).