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

C12H17N3O3S — CID 135561504

IUPAC4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-2-9-7-10(16)14-12(13-9)19-8-11(17)15-3-5-18-6-4-15/h7H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyMLCQVBSQJQIZHS-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.28
Rot. Bonds4

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

4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135561504) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135561504
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-2-9-7-10(16)14-12(13-9)19-8-11(17)15-3-5-18-6-4-15/h7H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyMLCQVBSQJQIZHS-UHFFFAOYSA-N
XLogP0.28
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[4-Hydroxy-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}-1-morpholino-1-ethanone
CID 135511468
2-(4-Hydroxy-6-propyl-pyrimidin-2-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 135413053
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 135877406
2-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethylthio]-5-ethyl-6-methyl-4(3H)-pyrimidinone
CID 135760337
6-amino-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135442032
2-((2-morpholino-2-oxoethyl)thio)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135561648
4-amino-2-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 135874968
6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-4-one
CID 135439027
6-ethyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135561502
Ethyl 2-{2-[(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}acetate
CID 135561542
N,N-diethyl-2-((4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561563
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 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 135561504) is 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is MLCQVBSQJQIZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-9-7-10(16)14-12(13-9)19-8-11(17)15-3-5-18-6-4-15/h7H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 283.35 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135561504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).