6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine

C15H10F4N4 — CID 110431666

IUPAC6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc2nc(C(F)(F)F)nc(NCc3cccnc3)c2c1
InChIInChI=1S/C15H10F4N4/c16-10-3-4-12-11(6-10)13(23-14(22-12)15(17,18)19)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,22,23)
InChIKeyBDNOCVWWGPBATL-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.79
Rot. Bonds3

About 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine

6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110431666) has the molecular formula C15H10F4N4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110431666
Molecular FormulaC15H10F4N4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESFc1ccc2nc(C(F)(F)F)nc(NCc3cccnc3)c2c1
InChIInChI=1S/C15H10F4N4/c16-10-3-4-12-11(6-10)13(23-14(22-12)15(17,18)19)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,22,23)
InChIKeyBDNOCVWWGPBATL-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
N-tert-butyl-6-(3-pyridin-3-ylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 5330928
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419
2-N-[(3-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 68576188
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
6-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 175829223
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
4-chloro-6-fluoro-2-(trifluoromethyl)quinazoline
CID 34176284
1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434640

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 110431666) is 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine is Fc1ccc2nc(C(F)(F)F)nc(NCc3cccnc3)c2c1.
What is the InChIKey of 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is BDNOCVWWGPBATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4/c16-10-3-4-12-11(6-10)13(23-14(22-12)15(17,18)19)21-8-9-2-1-5-20-7-9/h1-7H,8H2,(H,21,22,23).
What are the key properties of 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine?
6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 322.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110431666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).