ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate

C15H20N6O3S — CID 20895441

IUPACethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ncn(-c2nc(C)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C15H20N6O3S/c1-3-24-13(22)9-25-15-16-10-21(19-15)14-17-11(2)8-12(18-14)20-4-6-23-7-5-20/h8,10H,3-7,9H2,1-2H3
InChIKeyKJJCUILRXWIKAA-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.86
Rot. Bonds6

About ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate

ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate (PubChem CID 20895441) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
PubChem CID20895441
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Nameethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1ncn(-c2nc(C)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C15H20N6O3S/c1-3-24-13(22)9-25-15-16-10-21(19-15)14-17-11(2)8-12(18-14)20-4-6-23-7-5-20/h8,10H,3-7,9H2,1-2H3
InChIKeyKJJCUILRXWIKAA-UHFFFAOYSA-N
XLogP0.86
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[1-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895443
ethyl 2-[[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841695
methyl 2-[[1-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802381
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
CID 4580656
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
ethyl 2-[[1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802418
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
ethyl 4-[2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
CID 42753898
ethyl 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 142704975
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
3,3,3-trifluoro-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 122333617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate (CID 20895441) is ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate is CCOC(=O)CSc1ncn(-c2nc(C)cc(N3CCOCC3)n2)n1.
What is the InChIKey of ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate?
The InChIKey is KJJCUILRXWIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-3-24-13(22)9-25-15-16-10-21(19-15)14-17-11(2)8-12(18-14)20-4-6-23-7-5-20/h8,10H,3-7,9H2,1-2H3.
What are the key properties of ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate?
ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate has a molecular weight of 364.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate is sourced from PubChem (CID 20895441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).