1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H20N4O2S — CID 16811071

IUPAC1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCCN3CCCC3)ccnc2n(C)c1=O
InChIInChI=1S/C15H20N4O2S/c1-17-13-12(14(20)18(2)15(17)21)11(5-6-16-13)22-10-9-19-7-3-4-8-19/h5-6H,3-4,7-10H2,1-2H3
InChIKeyHOARZWGOHIWXKP-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.82
Rot. Bonds4

About 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16811071) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16811071
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCCN3CCCC3)ccnc2n(C)c1=O
InChIInChI=1S/C15H20N4O2S/c1-17-13-12(14(20)18(2)15(17)21)11(5-6-16-13)22-10-9-19-7-3-4-8-19/h5-6H,3-4,7-10H2,1-2H3
InChIKeyHOARZWGOHIWXKP-UHFFFAOYSA-N
XLogP0.82
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16813118
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424414
1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424416
1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 7424472
5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424497
2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 7424430
2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 18585434
2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 7424436
1-methyl-5-propoxy-3-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16801624
6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 26844589
1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307
1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2989533

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16811071) is 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(SCCN3CCCC3)ccnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HOARZWGOHIWXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-17-13-12(14(20)18(2)15(17)21)11(5-6-16-13)22-10-9-19-7-3-4-8-19/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 320.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16811071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).