5-(trifluoromethoxy)quinazolin-2-amine

C9H6F3N3O — CID 162341895

IUPAC5-(trifluoromethoxy)quinazolin-2-amine
SMILESNc1ncc2c(OC(F)(F)F)cccc2n1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)16-7-3-1-2-6-5(7)4-14-8(13)15-6/h1-4H,(H2,13,14,15)
InChIKeyYKLKPOQRAFKXSD-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.11
Rot. Bonds1

About 5-(trifluoromethoxy)quinazolin-2-amine

5-(trifluoromethoxy)quinazolin-2-amine (PubChem CID 162341895) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 5-(trifluoromethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name5-(trifluoromethoxy)quinazolin-2-amine
PubChem CID162341895
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name5-(trifluoromethoxy)quinazolin-2-amine
SMILESNc1ncc2c(OC(F)(F)F)cccc2n1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)16-7-3-1-2-6-5(7)4-14-8(13)15-6/h1-4H,(H2,13,14,15)
InChIKeyYKLKPOQRAFKXSD-UHFFFAOYSA-N
XLogP2.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
4-(trifluoromethoxy)quinoline
CID 118835416
5-(trifluoromethoxy)pyrimidin-2-amine
CID 138532683
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
CID 122443345
[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
CID 118814572
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)quinazolin-2-amine?
The IUPAC name of 5-(trifluoromethoxy)quinazolin-2-amine (CID 162341895) is 5-(trifluoromethoxy)quinazolin-2-amine.
What is the SMILES notation for 5-(trifluoromethoxy)quinazolin-2-amine?
The canonical SMILES for 5-(trifluoromethoxy)quinazolin-2-amine is Nc1ncc2c(OC(F)(F)F)cccc2n1.
What is the InChIKey of 5-(trifluoromethoxy)quinazolin-2-amine?
The InChIKey is YKLKPOQRAFKXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)16-7-3-1-2-6-5(7)4-14-8(13)15-6/h1-4H,(H2,13,14,15).
What are the key properties of 5-(trifluoromethoxy)quinazolin-2-amine?
5-(trifluoromethoxy)quinazolin-2-amine has a molecular weight of 229.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)quinazolin-2-amine is sourced from PubChem (CID 162341895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).