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

C17H24N4O4S — CID 26844589

IUPAC6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCc1cnc2c(c1SCCN1CCOCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H24N4O4S/c1-19-15-13(16(22)20(2)17(19)23)14(12(10-18-15)11-24-3)26-9-6-21-4-7-25-8-5-21/h10H,4-9,11H2,1-3H3
InChIKeySNTDQAIVYOSTSY-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.20
Rot. Bonds6

About 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 26844589) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID26844589
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCc1cnc2c(c1SCCN1CCOCC1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H24N4O4S/c1-19-15-13(16(22)20(2)17(19)23)14(12(10-18-15)11-24-3)26-9-6-21-4-7-25-8-5-21/h10H,4-9,11H2,1-3H3
InChIKeySNTDQAIVYOSTSY-UHFFFAOYSA-N
XLogP0.20
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 26844589) is 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is COCc1cnc2c(c1SCCN1CCOCC1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SNTDQAIVYOSTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-19-15-13(16(22)20(2)17(19)23)14(12(10-18-15)11-24-3)26-9-6-21-4-7-25-8-5-21/h10H,4-9,11H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 26844589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).