N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide

C15H23FN4OS — CID 171326542

IUPACN-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide
SMILESCSc1nc(C)c(C)c(N2CCC(F)(CNC(C)=O)CC2)n1
InChIInChI=1S/C15H23FN4OS/c1-10-11(2)18-14(22-4)19-13(10)20-7-5-15(16,6-8-20)9-17-12(3)21/h5-9H2,1-4H3,(H,17,21)
InChIKeyNOVDZTBFBULFNY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.26
Rot. Bonds4

About N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide

N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide (PubChem CID 171326542) has the molecular formula C15H23FN4OS and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide
PubChem CID171326542
Molecular FormulaC15H23FN4OS
Molecular Weight326.44 g/mol
Exact Mass326.16
IUPAC NameN-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide
SMILESCSc1nc(C)c(C)c(N2CCC(F)(CNC(C)=O)CC2)n1
InChIInChI=1S/C15H23FN4OS/c1-10-11(2)18-14(22-4)19-13(10)20-7-5-15(16,6-8-20)9-17-12(3)21/h5-9H2,1-4H3,(H,17,21)
InChIKeyNOVDZTBFBULFNY-UHFFFAOYSA-N
XLogP2.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
N~4~-[(1-acetylpiperidin-4-yl)methyl]-5-chloro-6-methylpyrimidine-2,4-diamine
CID 131892768
2-[(2S)-4-[2-methylsulfanyl-6-(2,2,2-trifluoroacetyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile
CID 157023382
N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8354801
N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 84587460
(3S)-N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 97227177
(3R)-N-(2,2,2-trifluoroethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 97227178
1-[4-[[[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133346984
1-[1-(5-Fluoro-2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylurea
CID 154736638
1-[5,6-Dimethyl-2-(methylsulfanyl)pyrimidin-4-yl]-3-fluoropyrrolidine-3-carboxamide
CID 154828727
N-({4-fluoro-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}methyl)acetamide
CID 165431801
N-({4-fluoro-1-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]piperidin-4-yl}methyl)acetamide
CID 165431976

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide (CID 171326542) is N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide is CSc1nc(C)c(C)c(N2CCC(F)(CNC(C)=O)CC2)n1.
What is the InChIKey of N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The InChIKey is NOVDZTBFBULFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4OS/c1-10-11(2)18-14(22-4)19-13(10)20-7-5-15(16,6-8-20)9-17-12(3)21/h5-9H2,1-4H3,(H,17,21).
What are the key properties of N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 171326542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).