2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide

C20H26N4O4S — CID 18587735

IUPAC2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cn(CC(=O)NCC2CCCO2)c(CSc2nc(C)cc(C)n2)cc1=O
InChIInChI=1S/C20H26N4O4S/c1-13-7-14(2)23-20(22-13)29-12-15-8-17(25)18(27-3)10-24(15)11-19(26)21-9-16-5-4-6-28-16/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H,21,26)
InChIKeyYCYGAIBDGBXETK-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.85
Rot. Bonds8

About 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 18587735) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID18587735
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cn(CC(=O)NCC2CCCO2)c(CSc2nc(C)cc(C)n2)cc1=O
InChIInChI=1S/C20H26N4O4S/c1-13-7-14(2)23-20(22-13)29-12-15-8-17(25)18(27-3)10-24(15)11-19(26)21-9-16-5-4-6-28-16/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H,21,26)
InChIKeyYCYGAIBDGBXETK-UHFFFAOYSA-N
XLogP1.85
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27451963
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16852776
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548384
2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39333324
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2126590
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124643
2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43952697
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1166018

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (CID 18587735) is 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is COc1cn(CC(=O)NCC2CCCO2)c(CSc2nc(C)cc(C)n2)cc1=O.
What is the InChIKey of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YCYGAIBDGBXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-13-7-14(2)23-20(22-13)29-12-15-8-17(25)18(27-3)10-24(15)11-19(26)21-9-16-5-4-6-28-16/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H,21,26).
What are the key properties of 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 18587735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).