5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline

C16H9ClF6N4O2 — CID 175408272

IUPAC5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline
SMILESFCC(F)C(F)Oc1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12
InChIInChI=1S/C16H9ClF6N4O2/c17-7-5-24-15(25-6-7)28-10-3-1-2-9-11(10)13(29-12(20)8(19)4-18)27-14(26-9)16(21,22)23/h1-3,5-6,8,12H,4H2
InChIKeyHVFIPSHCGLBFFE-UHFFFAOYSA-N
MW438.72 g/mol
LogP4.87
Rot. Bonds6

About 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline

5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline (PubChem CID 175408272) has the molecular formula C16H9ClF6N4O2 and a molecular weight of 438.72 g/mol. Its IUPAC name is 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline.

Molecular Properties

Compound Name5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline
PubChem CID175408272
Molecular FormulaC16H9ClF6N4O2
Molecular Weight438.72 g/mol
Exact Mass438.03
IUPAC Name5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline
SMILESFCC(F)C(F)Oc1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12
InChIInChI=1S/C16H9ClF6N4O2/c17-7-5-24-15(25-6-7)28-10-3-1-2-9-11(10)13(29-12(20)8(19)4-18)27-14(26-9)16(21,22)23/h1-3,5-6,8,12H,4H2
InChIKeyHVFIPSHCGLBFFE-UHFFFAOYSA-N
XLogP4.87
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.72
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloropyrimidin-2-yl)oxy-4-ethyl-2-(trifluoromethyl)quinazoline
CID 169171576
[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone
CID 176774043
(Z)-3-[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-N-ethoxypropan-1-imine
CID 169171583
5-(5-chloropyrimidin-2-yl)oxy-2,3-dimethyl-4-(2,3,4-trifluorobutyl)quinoline
CID 175408257
5-(5-chloropyrimidin-2-yl)oxy-4-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 162752920
7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole
CID 163275949
5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile
CID 176774100
5-chloro-2-(2-iodophenoxy)pyrimidine
CID 79556845
1-[2-bromo-6-(5-chloropyrimidin-2-yl)oxyphenyl]-4,4,4-trifluorobutan-1-one
CID 155321375
5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
5-chloro-2-[3-chloro-2-(3,3,3-trifluoropropylsulfanyl)phenoxy]pyrimidine;3-chloro-2-(3,3,3-trifluoropropylsulfanyl)phenol
CID 167625567
8-(5-chloropyrimidin-2-yl)oxy-1-(3,3,3-trifluoropropyl)-1,4-dihydroisochromen-3-one
CID 135371474

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline?
The IUPAC name of 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline (CID 175408272) is 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline.
What is the SMILES notation for 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline?
The canonical SMILES for 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline is FCC(F)C(F)Oc1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12.
What is the InChIKey of 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline?
The InChIKey is HVFIPSHCGLBFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF6N4O2/c17-7-5-24-15(25-6-7)28-10-3-1-2-9-11(10)13(29-12(20)8(19)4-18)27-14(26-9)16(21,22)23/h1-3,5-6,8,12H,4H2.
What are the key properties of 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline?
5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline has a molecular weight of 438.72 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)-4-(1,2,3-trifluoropropoxy)quinazoline is sourced from PubChem (CID 175408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).