4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one

C9H9FN4OS — CID 176974555

IUPAC4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSc1nc(N)c2c(=O)[nH]c(C)c(F)c2n1
InChIInChI=1S/C9H9FN4OS/c1-3-5(10)6-4(8(15)12-3)7(11)14-9(13-6)16-2/h1-2H3,(H,12,15)(H2,11,13,14)
InChIKeyRGXYBFAVTDKRKT-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.07
Rot. Bonds1

About 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one

4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 176974555) has the molecular formula C9H9FN4OS and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID176974555
Molecular FormulaC9H9FN4OS
Molecular Weight240.26 g/mol
Exact Mass240.05
IUPAC Name4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSc1nc(N)c2c(=O)[nH]c(C)c(F)c2n1
InChIInChI=1S/C9H9FN4OS/c1-3-5(10)6-4(8(15)12-3)7(11)14-9(13-6)16-2/h1-2H3,(H,12,15)(H2,11,13,14)
InChIKeyRGXYBFAVTDKRKT-UHFFFAOYSA-N
XLogP1.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 176974555) is 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one is CSc1nc(N)c2c(=O)[nH]c(C)c(F)c2n1.
What is the InChIKey of 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is RGXYBFAVTDKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4OS/c1-3-5(10)6-4(8(15)12-3)7(11)14-9(13-6)16-2/h1-2H3,(H,12,15)(H2,11,13,14).
What are the key properties of 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 240.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-fluoro-7-methyl-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 176974555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).