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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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).