5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C19H26N4O4S — CID 7424377

IUPAC5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1SCC(=O)N1C[C@@H](C)O[C@H](C)C1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H26N4O4S/c1-6-13-7-20-17-15(18(25)22(5)19(26)21(17)4)16(13)28-10-14(24)23-8-11(2)27-12(3)9-23/h7,11-12H,6,8-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyZCAYEGCXCBHSNM-VXGBXAGGSA-N
MW406.51 g/mol
LogP0.92
Rot. Bonds4

About 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 7424377) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID7424377
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1SCC(=O)N1C[C@@H](C)O[C@H](C)C1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H26N4O4S/c1-6-13-7-20-17-15(18(25)22(5)19(26)21(17)4)16(13)28-10-14(24)23-8-11(2)27-12(3)9-23/h7,11-12H,6,8-10H2,1-5H3/t11-,12-/m1/s1
InChIKeyZCAYEGCXCBHSNM-VXGBXAGGSA-N
XLogP0.92
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-6-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424409
5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-6-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 26844530
5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 26844347
5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424497
N-tert-butyl-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424373
6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 7424316
6-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424369
5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-7-(2-methylpropyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 40858611
N-(1,3-benzodioxol-5-yl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827571
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N,N-diethylacetamide
CID 7424401
methyl (2S)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoate
CID 7424363
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585347

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 7424377) is 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1SCC(=O)N1C[C@@H](C)O[C@H](C)C1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZCAYEGCXCBHSNM-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-6-13-7-20-17-15(18(25)22(5)19(26)21(17)4)16(13)28-10-14(24)23-8-11(2)27-12(3)9-23/h7,11-12H,6,8-10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 406.51 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7424377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).