3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

C12H17N3O3S — CID 155810327

IUPAC3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(16)14(2)12(13-9)19-8-11(17)15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyICZWVGZDIHANPP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.04
Rot. Bonds3

About 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one

3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (PubChem CID 155810327) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
PubChem CID155810327
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(16)14(2)12(13-9)19-8-11(17)15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyICZWVGZDIHANPP-UHFFFAOYSA-N
XLogP0.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[4-Hydroxy-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}-1-morpholino-1-ethanone
CID 135511468
6-ethyl-2-((2-morpholino-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 135561504
7-[(2,6-Dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2998063
3-Allyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-3H-pyrimidin-4-one
CID 135403335
2-(4-Hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 135413053
1-Ethyl-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 135501397
7-(Morpholin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2549305
6-hydroxy-3-methyl-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 135427615
2-((2-morpholino-2-oxoethyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135561648
6-Methyl-3-(2-morpholino-2-oxoethyl)-1-thia-3a,7-diaza-4-indanone
CID 16867883
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561738

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one (CID 155810327) is 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is Cc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
The InChIKey is ICZWVGZDIHANPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-7-10(16)14(2)12(13-9)19-8-11(17)15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one?
3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one has a molecular weight of 283.35 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one is sourced from PubChem (CID 155810327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).