1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione

C15H18N4O4S — CID 7424416

IUPAC1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCC(=O)N3CCOCC3)ccnc2n(C)c1=O
InChIInChI=1S/C15H18N4O4S/c1-17-13-12(14(21)18(2)15(17)22)10(3-4-16-13)24-9-11(20)19-5-7-23-8-6-19/h3-4H,5-9H2,1-2H3
InChIKeyADBYHYYLNFXBAF-UHFFFAOYSA-N
MW350.40 g/mol
LogP-0.42
Rot. Bonds3

About 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 7424416) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID7424416
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(SCC(=O)N3CCOCC3)ccnc2n(C)c1=O
InChIInChI=1S/C15H18N4O4S/c1-17-13-12(14(21)18(2)15(17)22)10(3-4-16-13)24-9-11(20)19-5-7-23-8-6-19/h3-4H,5-9H2,1-2H3
InChIKeyADBYHYYLNFXBAF-UHFFFAOYSA-N
XLogP-0.42
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424414
5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424497
1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16813118
1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16811071
1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-7-propan-2-ylpurine-2,6-dione
CID 2967214
7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 16800720
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-(4-methoxyphenyl)acetamide
CID 7424436
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanylpurine-2,6-dione
CID 1083160
1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 7424472
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
7-cyclopropyl-1,3-dimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 5310432

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione (CID 7424416) is 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(SCC(=O)N3CCOCC3)ccnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ADBYHYYLNFXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-17-13-12(14(21)18(2)15(17)22)10(3-4-16-13)24-9-11(20)19-5-7-23-8-6-19/h3-4H,5-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 350.40 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7424416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).