3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one

C14H21N3O3S — CID 7218792

IUPAC3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-3-4-11-9-12(18)16(2)14(15-11)21-10-13(19)17-5-7-20-8-6-17/h9H,3-8,10H2,1-2H3
InChIKeyFOKKZZBKOMBTSB-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.68
Rot. Bonds5

About 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one

3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one (PubChem CID 7218792) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one
PubChem CID7218792
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-3-4-11-9-12(18)16(2)14(15-11)21-10-13(19)17-5-7-20-8-6-17/h9H,3-8,10H2,1-2H3
InChIKeyFOKKZZBKOMBTSB-UHFFFAOYSA-N
XLogP0.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.68
H-Bond Donors ≤ 50
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
3-ethyl-6-methyl-2-((2-morpholino-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 3243866
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4345180
3-Methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475369
3-(2-methoxyethyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430877
3-(2-Methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3543693
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
7-ethyl-3-(2-morpholino-2-oxoethyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 16868216
2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(2-methoxyethyl)acetamide
CID 135515378
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one
CID 155810327
2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 169040475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one (CID 7218792) is 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one is CCCc1cc(=O)n(C)c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one?
The InChIKey is FOKKZZBKOMBTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-4-11-9-12(18)16(2)14(15-11)21-10-13(19)17-5-7-20-8-6-17/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one?
3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one has a molecular weight of 311.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-propylpyrimidin-4-one is sourced from PubChem (CID 7218792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).