(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C13H19N3O2S — CID 107224606

IUPAC(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C13H19N3O2S/c1-8-11(12(19-3)15-9(2)14-8)13(18)16-6-4-5-10(17)7-16/h10,17H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyQGBNMAMNFCIFCF-JTQLQIEISA-N
MW281.38 g/mol
LogP1.41
Rot. Bonds2

About (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224606) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224606
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C13H19N3O2S/c1-8-11(12(19-3)15-9(2)14-8)13(18)16-6-4-5-10(17)7-16/h10,17H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyQGBNMAMNFCIFCF-JTQLQIEISA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxypiperidin-1-yl)-(4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 78847736
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 64591148
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)methanone
CID 79411017
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 43355902
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
CID 62356084
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 111470063
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
[2-fluoro-4-[2-(4-methylphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 164970350
1-[4-[[6-(3-hydroxypiperidine-1-carbonyl)-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 165094046
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878395

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224606) is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is CSc1nc(C)nc(C)c1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is QGBNMAMNFCIFCF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-11(12(19-3)15-9(2)14-8)13(18)16-6-4-5-10(17)7-16/h10,17H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 281.38 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).