7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine

C9H10F2N2S — CID 165396790

IUPAC7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCSc1nc(C)c2c(n1)C(F)(F)CC2
InChIInChI=1S/C9H10F2N2S/c1-5-6-3-4-9(10,11)7(6)13-8(12-5)14-2/h3-4H2,1-2H3
InChIKeyLSDJISBZZKEOOM-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.54
Rot. Bonds1

About 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine

7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 165396790) has the molecular formula C9H10F2N2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID165396790
Molecular FormulaC9H10F2N2S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC Name7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCSc1nc(C)c2c(n1)C(F)(F)CC2
InChIInChI=1S/C9H10F2N2S/c1-5-6-3-4-9(10,11)7(6)13-8(12-5)14-2/h3-4H2,1-2H3
InChIKeyLSDJISBZZKEOOM-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

S-[4-(7,7-difluoro-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl)phenyl]thiohydroxylamine
CID 165395975
4-chloro-8,8-difluoro-2-methylsulfanyl-5,6-dihydropyrano[3,4-d]pyrimidine
CID 168954059
(6S)-6-(bromomethyl)-4-methyl-2-methylsulfanyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 825583
methyl 2-[1-(8,8-difluoro-2-methylsulfanyl-6,7-dihydro-5H-quinazolin-4-yl)azetidin-3-yl]acetate
CID 164544754
methyl 2-[3-(8,8-difluoro-2-methylsulfanyl-6,7-dihydro-5H-quinazolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]acetate
CID 154663274
7,7-difluoro-4-(4-methylphenyl)-2-methylsulfonyl-5,6-dihydrocyclopenta[d]pyrimidine
CID 167207487
3,3-difluoro-1,2-dimethylcyclopentene
CID 134254541
4-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-5,6-dimethyl-2-methylsulfanylpyrimidine
CID 163348045
N,4-dimethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83871304
8-(3-methoxypropyl)-4-methyl-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 90048872
4-[7,7-difluoro-2-[(2S)-2-methylazetidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]benzamide
CID 165396617
4-chloro-7-(3,3-difluorocyclobutyl)-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 118436174

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine (CID 165396790) is 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine is CSc1nc(C)c2c(n1)C(F)(F)CC2.
What is the InChIKey of 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is LSDJISBZZKEOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2S/c1-5-6-3-4-9(10,11)7(6)13-8(12-5)14-2/h3-4H2,1-2H3.
What are the key properties of 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine?
7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 216.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-4-methyl-2-methylsulfanyl-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 165396790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).