5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine

C10H9F2N3S — CID 123286980

IUPAC5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(C(F)F)ncc(C)c2n1
InChIInChI=1S/C10H9F2N3S/c1-5-3-13-8(9(11)12)6-4-14-10(16-2)15-7(5)6/h3-4,9H,1-2H3
InChIKeyCYONAXXFWSQQEL-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.99
Rot. Bonds2

About 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine

5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine (PubChem CID 123286980) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
PubChem CID123286980
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1ncc2c(C(F)F)ncc(C)c2n1
InChIInChI=1S/C10H9F2N3S/c1-5-3-13-8(9(11)12)6-4-14-10(16-2)15-7(5)6/h3-4,9H,1-2H3
InChIKeyCYONAXXFWSQQEL-UHFFFAOYSA-N
XLogP2.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine (CID 123286980) is 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine is CSc1ncc2c(C(F)F)ncc(C)c2n1.
What is the InChIKey of 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
The InChIKey is CYONAXXFWSQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-5-3-13-8(9(11)12)6-4-14-10(16-2)15-7(5)6/h3-4,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine?
5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine has a molecular weight of 241.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-8-methyl-2-methylsulfanylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 123286980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).