2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide

C13H18ClN3OS — CID 114219706

IUPAC2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
SMILESCCSC1CCCC1NC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C13H18ClN3OS/c1-3-19-11-6-4-5-9(11)16-12(18)10-7-8(2)15-13(14)17-10/h7,9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyQWAFGNFORHPIBT-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219706) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219706
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide
SMILESCCSC1CCCC1NC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C13H18ClN3OS/c1-3-19-11-6-4-5-9(11)16-12(18)10-7-8(2)15-13(14)17-10/h7,9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyQWAFGNFORHPIBT-UHFFFAOYSA-N
XLogP2.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700
N-(2-ethylsulfanylcyclopentyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114122098
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
5-[(2-ethylsulfanylcyclohexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689106
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
CID 95788483
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide (CID 114219706) is 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide is CCSC1CCCC1NC(=O)c1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is QWAFGNFORHPIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-3-19-11-6-4-5-9(11)16-12(18)10-7-8(2)15-13(14)17-10/h7,9,11H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 299.83 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylsulfanylcyclopentyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).