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

C11H15N3O3S — CID 3024453

IUPACmethyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C11H15N3O3S/c1-16-11(15)7-18-10-6-9(12-8-13-10)14-2-4-17-5-3-14/h6,8H,2-5,7H2,1H3
InChIKeyAOGPRKTUKUKIIV-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.58
Rot. Bonds4

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

methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate (PubChem CID 3024453) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
PubChem CID3024453
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C11H15N3O3S/c1-16-11(15)7-18-10-6-9(12-8-13-10)14-2-4-17-5-3-14/h6,8H,2-5,7H2,1H3
InChIKeyAOGPRKTUKUKIIV-UHFFFAOYSA-N
XLogP0.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Acetic acid, ((6-((2-methoxyethyl)thio)-4-pyrimidinyl)amino)oxo-, ethyl ester
CID 3058461
Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester
CID 56946
Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, hydrazide
CID 56947
Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide
CID 56950
Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester
CID 3024452
2-[6-(2-Ethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
CID 50840610
(6-Chloro-4-pyrimidinylthio)acetic acid ethyl ester
CID 12617581
6-Methylthio-2,4-dimorpholinopyrimidine
CID 12994970
4,6-Bis(ethoxycarbonylmethylthio)pyrimidine
CID 13350612
Ethyl fluoro(4-pyrimidinylsulfanyl)acetate
CID 14944016
2-[(6-Methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106972294
Methyl 3-(6-fluoropyrimidin-4-yl)sulfanylpropanoate
CID 115417330

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate (CID 3024453) is methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1cc(N2CCOCC2)ncn1.
What is the InChIKey of methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is AOGPRKTUKUKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-16-11(15)7-18-10-6-9(12-8-13-10)14-2-4-17-5-3-14/h6,8H,2-5,7H2,1H3.
What are the key properties of methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 269.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 3024453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).