4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine

C17H14FN3S — CID 56584722

IUPAC4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C17H14FN3S/c1-11-12(2)20-16(15-5-3-4-10-19-15)21-17(11)22-14-8-6-13(18)7-9-14/h3-10H,1-2H3
InChIKeyHKERNGVRFLDBPX-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.45
Rot. Bonds3

About 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine

4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine (PubChem CID 56584722) has the molecular formula C17H14FN3S and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine
PubChem CID56584722
Molecular FormulaC17H14FN3S
Molecular Weight311.39 g/mol
Exact Mass311.09
IUPAC Name4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C17H14FN3S/c1-11-12(2)20-16(15-5-3-4-10-19-15)21-17(11)22-14-8-6-13(18)7-9-14/h3-10H,1-2H3
InChIKeyHKERNGVRFLDBPX-UHFFFAOYSA-N
XLogP4.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine (CID 56584722) is 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine is Cc1nc(-c2ccccn2)nc(Sc2ccc(F)cc2)c1C.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The InChIKey is HKERNGVRFLDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3S/c1-11-12(2)20-16(15-5-3-4-10-19-15)21-17(11)22-14-8-6-13(18)7-9-14/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine has a molecular weight of 311.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 56584722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).