2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C8H8FN3O2S — CID 172576493

IUPAC2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSOc1nc(F)nc2c1C(=O)NCC2
InChIInChI=1S/C8H8FN3O2S/c1-15-14-7-5-4(11-8(9)12-7)2-3-10-6(5)13/h2-3H2,1H3,(H,10,13)
InChIKeyGJSJQFMMUJJYBQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.56
Rot. Bonds2

About 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 172576493) has the molecular formula C8H8FN3O2S and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID172576493
Molecular FormulaC8H8FN3O2S
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC Name2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSOc1nc(F)nc2c1C(=O)NCC2
InChIInChI=1S/C8H8FN3O2S/c1-15-14-7-5-4(11-8(9)12-7)2-3-10-6(5)13/h2-3H2,1H3,(H,10,13)
InChIKeyGJSJQFMMUJJYBQ-UHFFFAOYSA-N
XLogP0.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-methylsulfanyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 67147041
2-chloro-4-ethenoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576513
2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 83679490
2-methyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
CID 146344638
8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 66802009
2-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 89027456
2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one
CID 154051967
2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 141143516
8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424112
2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 122696780
4-(naphthalen-1-ylamino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53493860
2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53492821

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 172576493) is 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is CSOc1nc(F)nc2c1C(=O)NCC2.
What is the InChIKey of 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is GJSJQFMMUJJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2S/c1-15-14-7-5-4(11-8(9)12-7)2-3-10-6(5)13/h2-3H2,1H3,(H,10,13).
What are the key properties of 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 229.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172576493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).