2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

C10H10FN3OS — CID 100705614

IUPAC2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCCc1ncnc(Sc2nc(C)co2)c1F
InChIInChI=1S/C10H10FN3OS/c1-3-7-8(11)9(13-5-12-7)16-10-14-6(2)4-15-10/h4-5H,3H2,1-2H3
InChIKeyQYTHQZRSWYZRQF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.63
Rot. Bonds3

About 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole

2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 100705614) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID100705614
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
SMILESCCc1ncnc(Sc2nc(C)co2)c1F
InChIInChI=1S/C10H10FN3OS/c1-3-7-8(11)9(13-5-12-7)16-10-14-6(2)4-15-10/h4-5H,3H2,1-2H3
InChIKeyQYTHQZRSWYZRQF-UHFFFAOYSA-N
XLogP2.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole (CID 100705614) is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is CCc1ncnc(Sc2nc(C)co2)c1F.
What is the InChIKey of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is QYTHQZRSWYZRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-3-7-8(11)9(13-5-12-7)16-10-14-6(2)4-15-10/h4-5H,3H2,1-2H3.
What are the key properties of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole?
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 239.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 100705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).