methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate

C12H17N3O3S — CID 2147954

IUPACmethyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(15-3-5-18-6-4-15)14-12(13-9)19-8-11(16)17-2/h7H,3-6,8H2,1-2H3
InChIKeyWEQDZQLGVCETHA-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.89
Rot. Bonds4

About methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate

methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate (PubChem CID 2147954) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate
PubChem CID2147954
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate
SMILESCOC(=O)CSc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(15-3-5-18-6-4-15)14-12(13-9)19-8-11(16)17-2/h7H,3-6,8H2,1-2H3
InChIKeyWEQDZQLGVCETHA-UHFFFAOYSA-N
XLogP0.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
4-{3-[(4,6-Dimethyl-2-pyrimidinyl)thio]propanoyl}morpholine
CID 975615
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Acetic acid, ((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
CID 723195
Morpholine, 4-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
CID 3021602
Acetic acid, ((6-methyl-4-morpholino-2-pyrimidinyl)thio)-, hydrazide
CID 3060315
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)-
CID 3074006
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
CID 16644560
4-(6-Methyl-2-propylpyrimidin-4-yl)morpholine
CID 6461489
4-[2-Methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 134202136
1-[4-Methyl-6-(morpholin-4-yl)pyrimidin-2-yl]tetrahydrothiophenium
CID 3157868

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate (CID 2147954) is methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate is COC(=O)CSc1nc(C)cc(N2CCOCC2)n1.
What is the InChIKey of methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is WEQDZQLGVCETHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-7-10(15-3-5-18-6-4-15)14-12(13-9)19-8-11(16)17-2/h7H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate?
methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 283.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 2147954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).