4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

C12H19N3OS — CID 135489574

IUPAC4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCCN2CCCCC2)n1
InChIInChI=1S/C12H19N3OS/c1-10-9-11(16)14-12(13-10)17-8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyPQBSVLIYZGEFNT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.66
Rot. Bonds4

About 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135489574) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135489574
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCCN2CCCCC2)n1
InChIInChI=1S/C12H19N3OS/c1-10-9-11(16)14-12(13-10)17-8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyPQBSVLIYZGEFNT-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[2-Oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1H)-pyrimidinone
CID 135440059
N-Cyclohexyl-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403542
2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135473714
4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135505010
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
4-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135413970
2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-6-propylpyrimidin-4(3H)-one
CID 135561388
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135464804
N-cyclohexyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135467501
4(1H)-Pyrimidinone, 6-methyl-2-((2-(1-piperidinyl)ethyl)thio)-, dihydrochloride
CID 135489573
4(1H)-Pyrimidinone, 2-((2-(diethylamino)ethyl)thio)-6-methyl-, dihydrochloride
CID 135951884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 135489574) is 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCCN2CCCCC2)n1.
What is the InChIKey of 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is PQBSVLIYZGEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-9-11(16)14-12(13-10)17-8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,13,14,16).
What are the key properties of 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 253.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135489574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).