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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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).