5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline

C15H10ClF3N4O — CID 169171576

IUPAC5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline
SMILESCCc1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12
InChIInChI=1S/C15H10ClF3N4O/c1-2-9-12-10(23-13(22-9)15(17,18)19)4-3-5-11(12)24-14-20-6-8(16)7-21-14/h3-7H,2H2,1H3
InChIKeyCZXBQSHNJHYBBX-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.45
Rot. Bonds3

About 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline

5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline (PubChem CID 169171576) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline
PubChem CID169171576
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline
SMILESCCc1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12
InChIInChI=1S/C15H10ClF3N4O/c1-2-9-12-10(23-13(22-9)15(17,18)19)4-3-5-11(12)24-14-20-6-8(16)7-21-14/h3-7H,2H2,1H3
InChIKeyCZXBQSHNJHYBBX-UHFFFAOYSA-N
XLogP4.45
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline?
The IUPAC name of 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline (CID 169171576) is 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline is CCc1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12.
What is the InChIKey of 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline?
The InChIKey is CZXBQSHNJHYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-2-9-12-10(23-13(22-9)15(17,18)19)4-3-5-11(12)24-14-20-6-8(16)7-21-14/h3-7H,2H2,1H3.
What are the key properties of 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline?
5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline has a molecular weight of 354.72 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 169171576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).