6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C13H13N3OS — CID 175780819

IUPAC6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(C2=CCSCC2)cc2cncnc21
InChIInChI=1S/C13H13N3OS/c1-16-12-10(7-14-8-15-12)6-11(13(16)17)9-2-4-18-5-3-9/h2,6-8H,3-5H2,1H3
InChIKeyAZFNYGXXNCVTFE-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.85
Rot. Bonds1

About 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 175780819) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID175780819
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(C2=CCSCC2)cc2cncnc21
InChIInChI=1S/C13H13N3OS/c1-16-12-10(7-14-8-15-12)6-11(13(16)17)9-2-4-18-5-3-9/h2,6-8H,3-5H2,1H3
InChIKeyAZFNYGXXNCVTFE-UHFFFAOYSA-N
XLogP1.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780859
8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 175780838
8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933676
8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933692
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175831763
6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165398615
8-(2,2-dimethylpropyl)-6-fluoropyrido[2,3-d]pyrimidin-7-one
CID 175774541
7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine
CID 149286062
6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132964
6-amino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132986
6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382290
6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382571

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 175780819) is 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(C2=CCSCC2)cc2cncnc21.
What is the InChIKey of 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AZFNYGXXNCVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-16-12-10(7-14-8-15-12)6-11(13(16)17)9-2-4-18-5-3-9/h2,6-8H,3-5H2,1H3.
What are the key properties of 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 259.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175780819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).