6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine

C14H16F2N4S — CID 134555142

IUPAC6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine
SMILESCSc1ncc2cc(C(F)F)nc(N3CCCCC3)c2n1
InChIInChI=1S/C14H16F2N4S/c1-21-14-17-8-9-7-10(12(15)16)18-13(11(9)19-14)20-5-3-2-4-6-20/h7-8,12H,2-6H2,1H3
InChIKeyXOLRQDLRONKNCY-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.67
Rot. Bonds3

About 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine

6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 134555142) has the molecular formula C14H16F2N4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID134555142
Molecular FormulaC14H16F2N4S
Molecular Weight310.37 g/mol
Exact Mass310.11
IUPAC Name6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine
SMILESCSc1ncc2cc(C(F)F)nc(N3CCCCC3)c2n1
InChIInChI=1S/C14H16F2N4S/c1-21-14-17-8-9-7-10(12(15)16)18-13(11(9)19-14)20-5-3-2-4-6-20/h7-8,12H,2-6H2,1H3
InChIKeyXOLRQDLRONKNCY-UHFFFAOYSA-N
XLogP3.67
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine (CID 134555142) is 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine is CSc1ncc2cc(C(F)F)nc(N3CCCCC3)c2n1.
What is the InChIKey of 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is XOLRQDLRONKNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4S/c1-21-14-17-8-9-7-10(12(15)16)18-13(11(9)19-14)20-5-3-2-4-6-20/h7-8,12H,2-6H2,1H3.
What are the key properties of 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine?
6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 310.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methylsulfanyl-8-piperidin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 134555142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).