2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide

C23H28N4O3S — CID 26844466

IUPAC2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1C
InChIInChI=1S/C23H28N4O3S/c1-13(2)10-16-11-24-21-19(22(29)27(6)23(30)26(21)5)20(16)31-12-18(28)25-17-9-7-8-14(3)15(17)4/h7-9,11,13H,10,12H2,1-6H3,(H,25,28)
InChIKeyGFLQJEOLVOUYBV-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.18
Rot. Bonds6

About 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide

2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide (PubChem CID 26844466) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
PubChem CID26844466
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1C
InChIInChI=1S/C23H28N4O3S/c1-13(2)10-16-11-24-21-19(22(29)27(6)23(30)26(21)5)20(16)31-12-18(28)25-17-9-7-8-14(3)15(17)4/h7-9,11,13H,10,12H2,1-6H3,(H,25,28)
InChIKeyGFLQJEOLVOUYBV-UHFFFAOYSA-N
XLogP3.18
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 26844378
N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide
CID 26844535
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 26844478
N-naphthalen-1-yl-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585279
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 26844494
2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 26844305
5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-6-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 26844509
2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 26844306
2-[6-(methoxymethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26844553
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
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 23829410
2-(1,3-dimethyl-2,4-dioxo-7-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 16814122

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide (CID 26844466) is 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1C.
What is the InChIKey of 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is GFLQJEOLVOUYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-13(2)10-16-11-24-21-19(22(29)27(6)23(30)26(21)5)20(16)31-12-18(28)25-17-9-7-8-14(3)15(17)4/h7-9,11,13H,10,12H2,1-6H3,(H,25,28).
What are the key properties of 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide?
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 440.57 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 26844466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).