6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

C11H13N3O2S — CID 45106158

IUPAC6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCOCCn1ccc2nc(SC)ncc2c1=O
InChIInChI=1S/C11H13N3O2S/c1-16-6-5-14-4-3-9-8(10(14)15)7-12-11(13-9)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyBCTIJBXZFORDQL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.16
Rot. Bonds4

About 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 45106158) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
PubChem CID45106158
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCOCCn1ccc2nc(SC)ncc2c1=O
InChIInChI=1S/C11H13N3O2S/c1-16-6-5-14-4-3-9-8(10(14)15)7-12-11(13-9)17-2/h3-4,7H,5-6H2,1-2H3
InChIKeyBCTIJBXZFORDQL-UHFFFAOYSA-N
XLogP1.16
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (CID 45106158) is 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is COCCn1ccc2nc(SC)ncc2c1=O.
What is the InChIKey of 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is BCTIJBXZFORDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-16-6-5-14-4-3-9-8(10(14)15)7-12-11(13-9)17-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 251.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 45106158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).