6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one

C14H9F2N3O2S — CID 71053344

IUPAC6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(=S)[nH]c21
InChIInChI=1S/C14H9F2N3O2S/c1-19-12-7(6-17-14(22)18-12)4-11(13(19)20)21-10-3-2-8(15)5-9(10)16/h2-6H,1H3,(H,17,18,22)
InChIKeyPOBGEEZIIXOORA-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.06
Rot. Bonds2

About 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71053344) has the molecular formula C14H9F2N3O2S and a molecular weight of 321.31 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID71053344
Molecular FormulaC14H9F2N3O2S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(=S)[nH]c21
InChIInChI=1S/C14H9F2N3O2S/c1-19-12-7(6-17-14(22)18-12)4-11(13(19)20)21-10-3-2-8(15)5-9(10)16/h2-6H,1H3,(H,17,18,22)
InChIKeyPOBGEEZIIXOORA-UHFFFAOYSA-N
XLogP3.06
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-difluorophenoxy)-8-methyl-2-methylperoxysulfanylpyrido[2,3-d]pyrimidin-7-one
CID 20626911
6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 127041568
3-(2,4-difluorophenoxy)-7-[(4-hydroxycyclohexyl)amino]-1-methyl-1,6-naphthyridin-2-one
CID 20626844
6-(2,4-difluorophenoxy)-2-[(4-hydroxy-4-methylpentan-2-yl)amino]-1,8-dimethylpyrido[2,3-d]pyrimidin-1-ium-7-one
CID 59097232
6-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992
6-(2,4-difluorophenoxy)-8-methyl-2-[[(2R)-1-(tetrazol-2-yl)propan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 44517632
6-(2,4-difluorophenoxy)-2-methylsulfanyl-8-(3-methylsulfonylpropyl)pyrido[2,3-d]pyrimidin-7-one
CID 52937751
6-(2,4-difluorophenoxy)-8-[(2S)-2-hydroxypropyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 59681427
6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde
CID 143098662
2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
2-(2,4-difluorophenoxy)-6-methyl-5-(2-methylsulfanyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 175923270
6-(2,4-difluorophenoxy)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59681430

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one (CID 71053344) is 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(=S)[nH]c21.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is POBGEEZIIXOORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S/c1-19-12-7(6-17-14(22)18-12)4-11(13(19)20)21-10-3-2-8(15)5-9(10)16/h2-6H,1H3,(H,17,18,22).
What are the key properties of 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 321.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71053344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).