(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone

C13H19N3OS — CID 64591148

IUPAC(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C13H19N3OS/c1-9-11(12(18-3)15-10(2)14-9)13(17)16-7-5-4-6-8-16/h4-8H2,1-3H3
InChIKeyZFCRCJYGCBOQAG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.44
Rot. Bonds2

About (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone

(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 64591148) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID64591148
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCSc1nc(C)nc(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C13H19N3OS/c1-9-11(12(18-3)15-10(2)14-9)13(17)16-7-5-4-6-8-16/h4-8H2,1-3H3
InChIKeyZFCRCJYGCBOQAG-UHFFFAOYSA-N
XLogP2.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone (CID 64591148) is (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone is CSc1nc(C)nc(C)c1C(=O)N1CCCCC1.
What is the InChIKey of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is ZFCRCJYGCBOQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-11(12(18-3)15-10(2)14-9)13(17)16-7-5-4-6-8-16/h4-8H2,1-3H3.
What are the key properties of (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone?
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 265.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 64591148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).