4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C12H17N3O4S — CID 135511468

IUPAC4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O4S/c1-18-7-9-6-10(16)14-12(13-9)20-8-11(17)15-2-4-19-5-3-15/h6H,2-5,7-8H2,1H3,(H,13,14,16)
InChIKeyZUBLRJYTHUOHPL-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.13
Rot. Bonds5

About 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135511468) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135511468
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O4S/c1-18-7-9-6-10(16)14-12(13-9)20-8-11(17)15-2-4-19-5-3-15/h6H,2-5,7-8H2,1H3,(H,13,14,16)
InChIKeyZUBLRJYTHUOHPL-UHFFFAOYSA-N
XLogP-0.13
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-((2-morpholino-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 135561504
2-(4-Hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 135413053
2-((2-morpholino-2-oxoethyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135561648
2-((4-Hydroxy-6-methylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 135439027
2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561738
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561739
2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135561740
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 155810327
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 42739010
2-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one
CID 42739339
3,6-Dimethyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidin-4-one
CID 42739406
2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-4-ethyl-1H-pyrimidin-6-one
CID 135561600

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 135511468) is 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZUBLRJYTHUOHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-18-7-9-6-10(16)14-12(13-9)20-8-11(17)15-2-4-19-5-3-15/h6H,2-5,7-8H2,1H3,(H,13,14,16).
What are the key properties of 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 299.35 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135511468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).