(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone

C13H19N3O2S — CID 43502637

IUPAC(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H19N3O2S/c1-8-11(12(19-3)15-9(2)14-8)13(18)16-6-4-10(17)5-7-16/h10,17H,4-7H2,1-3H3
InChIKeyMMXUUXAYPAOBGY-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.41
Rot. Bonds2

About (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone

(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43502637) 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)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43502637
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H19N3O2S/c1-8-11(12(19-3)15-9(2)14-8)13(18)16-6-4-10(17)5-7-16/h10,17H,4-7H2,1-3H3
InChIKeyMMXUUXAYPAOBGY-UHFFFAOYSA-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

2,4-dimethyl-6-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidine-5-carboxamide
CID 103755852
N-(3,3-difluoro-2-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 103770013
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 104862847
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 107483330
N-(2-hydroxyethyl)-2,4-dimethyl-6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 107483457
2-(5-Acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 17525844
(2S)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 25496187
(2R)-2-(5-acetyl-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 25496189
1-(2,4-Dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 43170477
1-(2,4-Dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 43171087
4-[(2,4-Dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-methylamino]butanoic acid
CID 43172445
3-[(2,4-Dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]propanoic acid
CID 43354879

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43502637) is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone is CSc1nc(C)nc(C)c1C(=O)N1CCC(O)CC1.
What is the InChIKey of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is MMXUUXAYPAOBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-11(12(19-3)15-9(2)14-8)13(18)16-6-4-10(17)5-7-16/h10,17H,4-7H2,1-3H3.
What are the key properties of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-hydroxypiperidin-1-yl)methanone?
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-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)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43502637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).