6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

C16H23N3O2S — CID 7424316

IUPAC6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1SCCC(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H23N3O2S/c1-6-11-9-17-14-12(13(11)22-8-7-10(2)3)15(20)19(5)16(21)18(14)4/h9-10H,6-8H2,1-5H3
InChIKeyPMYLGRQQJFNVMR-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.33
Rot. Bonds5

About 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 7424316) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID7424316
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1SCCC(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H23N3O2S/c1-6-11-9-17-14-12(13(11)22-8-7-10(2)3)15(20)19(5)16(21)18(14)4/h9-10H,6-8H2,1-5H3
InChIKeyPMYLGRQQJFNVMR-UHFFFAOYSA-N
XLogP2.33
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424373
methyl (2S)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoate
CID 7424363
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
6-ethyl-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424369
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
methyl 2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetate
CID 26844340
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-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N,N-diethylacetamide
CID 7424401
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid
CID 18585397
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 26844478
6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 26844589
2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 41084970

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 7424316) is 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1SCCC(C)C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PMYLGRQQJFNVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-6-11-9-17-14-12(13(11)22-8-7-10(2)3)15(20)19(5)16(21)18(14)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 321.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7424316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).