(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C14H21N3O2S — CID 43572878

IUPAC(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCCCC1CO
InChIInChI=1S/C14H21N3O2S/c1-9-12(13(20-3)16-10(2)15-9)14(19)17-7-5-4-6-11(17)8-18/h11,18H,4-8H2,1-3H3
InChIKeyAKKBLLALINFCSP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.80
Rot. Bonds3

About (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43572878) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43572878
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCCCC1CO
InChIInChI=1S/C14H21N3O2S/c1-9-12(13(20-3)16-10(2)15-9)14(19)17-7-5-4-6-11(17)8-18/h11,18H,4-8H2,1-3H3
InChIKeyAKKBLLALINFCSP-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43572878) is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is CSc1nc(C)nc(C)c1C(=O)N1CCCCC1CO.
What is the InChIKey of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is AKKBLLALINFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-12(13(20-3)16-10(2)15-9)14(19)17-7-5-4-6-11(17)8-18/h11,18H,4-8H2,1-3H3.
What are the key properties of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.80, 3 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)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43572878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).