propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate

C17H19N3O4S — CID 58904978

IUPACpropan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate
SMILESCC(C)OC(=O)C(C)OC(=O)CSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C17H19N3O4S/c1-11(2)23-16(22)12(3)24-15(21)10-25-17-19-9-7-14(20-17)13-6-4-5-8-18-13/h4-9,11-12H,10H2,1-3H3
InChIKeyYRANNPQJPIFBOF-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.51
Rot. Bonds7

About propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate

propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate (PubChem CID 58904978) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate
PubChem CID58904978
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Namepropan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate
SMILESCC(C)OC(=O)C(C)OC(=O)CSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C17H19N3O4S/c1-11(2)23-16(22)12(3)24-15(21)10-25-17-19-9-7-14(20-17)13-6-4-5-8-18-13/h4-9,11-12H,10H2,1-3H3
InChIKeyYRANNPQJPIFBOF-UHFFFAOYSA-N
XLogP2.51
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate 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

3-acetyloxybutan-2-yl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905046
2-methoxyethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905005
ethane;(2,2,2-trifluoro-1-phosphanylethyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 142164815
1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904938
2-(diacetylamino)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904917
2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904910
2-(dimethylcarbamoylsulfanyl)ethyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904819
propan-2-yl 2-pyrimidin-2-ylsulfanylacetate
CID 47095344
3-(propanoylamino)propyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904853
methyl (Z)-3-methoxy-4-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylbut-2-enoate
CID 58904810
(2-oxo-1,3-diazinan-5-yl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904977
(2,2,3,3-tetrafluorocyclobutyl) 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58905042

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate?
The IUPAC name of propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate (CID 58904978) is propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate.
What is the SMILES notation for propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate?
The canonical SMILES for propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate is CC(C)OC(=O)C(C)OC(=O)CSc1nccc(-c2ccccn2)n1.
What is the InChIKey of propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate?
The InChIKey is YRANNPQJPIFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11(2)23-16(22)12(3)24-15(21)10-25-17-19-9-7-14(20-17)13-6-4-5-8-18-13/h4-9,11-12H,10H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate?
propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate has a molecular weight of 361.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]oxypropanoate is sourced from PubChem (CID 58904978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).