2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide

C15H17ClN4O — CID 172628128

IUPAC2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
SMILESN#CC1CCC(NC(=O)c2nc(Cl)nc3c2CCC3)CC1
InChIInChI=1S/C15H17ClN4O/c16-15-19-12-3-1-2-11(12)13(20-15)14(21)18-10-6-4-9(8-17)5-7-10/h9-10H,1-7H2,(H,18,21)
InChIKeyAVHDDEBUPHFEED-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.43
Rot. Bonds2

About 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide

2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide (PubChem CID 172628128) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
PubChem CID172628128
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
SMILESN#CC1CCC(NC(=O)c2nc(Cl)nc3c2CCC3)CC1
InChIInChI=1S/C15H17ClN4O/c16-15-19-12-3-1-2-11(12)13(20-15)14(21)18-10-6-4-9(8-17)5-7-10/h9-10H,1-7H2,(H,18,21)
InChIKeyAVHDDEBUPHFEED-UHFFFAOYSA-N
XLogP2.43
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(methylcarbamoyl)cyclohexyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 172628139
N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
CID 168957463
N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
CID 172628291
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-(4-cyanocyclohexyl)-2-cyclopentylacetamide
CID 116817039
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide
CID 116817040
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid
CID 141430950
4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 162632727
N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 86207454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide (CID 172628128) is 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide is N#CC1CCC(NC(=O)c2nc(Cl)nc3c2CCC3)CC1.
What is the InChIKey of 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
The InChIKey is AVHDDEBUPHFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-15-19-12-3-1-2-11(12)13(20-15)14(21)18-10-6-4-9(8-17)5-7-10/h9-10H,1-7H2,(H,18,21).
What are the key properties of 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide?
2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyanocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide is sourced from PubChem (CID 172628128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).