6,8-bis(trifluoromethyl)quinazolin-4-amine

C10H5F6N3 — CID 175992502

IUPAC6,8-bis(trifluoromethyl)quinazolin-4-amine
SMILESNc1ncnc2c(C(F)(F)F)cc(C(F)(F)F)cc12
InChIInChI=1S/C10H5F6N3/c11-9(12,13)4-1-5-7(18-3-19-8(5)17)6(2-4)10(14,15)16/h1-3H,(H2,17,18,19)
InChIKeyCEJQFCMBOQJLGW-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.25
Rot. Bonds

About 6,8-bis(trifluoromethyl)quinazolin-4-amine

6,8-bis(trifluoromethyl)quinazolin-4-amine (PubChem CID 175992502) has the molecular formula C10H5F6N3 and a molecular weight of 281.16 g/mol. Its IUPAC name is 6,8-bis(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-bis(trifluoromethyl)quinazolin-4-amine
PubChem CID175992502
Molecular FormulaC10H5F6N3
Molecular Weight281.16 g/mol
Exact Mass281.04
IUPAC Name6,8-bis(trifluoromethyl)quinazolin-4-amine
SMILESNc1ncnc2c(C(F)(F)F)cc(C(F)(F)F)cc12
InChIInChI=1S/C10H5F6N3/c11-9(12,13)4-1-5-7(18-3-19-8(5)17)6(2-4)10(14,15)16/h1-3H,(H2,17,18,19)
InChIKeyCEJQFCMBOQJLGW-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 154276626
6-methyl-4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 168917056
1,3,6,8,10,11-hexakis(trifluoromethyl)triphenylene
CID 90327361
6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187397
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
5,7-bis(trifluoromethyl)quinazoline
CID 175829219
2-chloro-3,5-bis(trifluoromethyl)aniline
CID 2757429
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
6-[5-[(1S)-1-[[6,8-bis(trifluoromethyl)quinazolin-4-yl]amino]ethyl]-1,2,4-triazol-1-yl]pyridine-3-carboxamide
CID 166568038
6-tert-butylquinazolin-4-amine
CID 58008725
1-[4-(6-aminopurin-9-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 23154952
S-[2,4,6-tris(trifluoromethyl)phenyl]thiohydroxylamine
CID 129295053

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6,8-bis(trifluoromethyl)quinazolin-4-amine (CID 175992502) is 6,8-bis(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-bis(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6,8-bis(trifluoromethyl)quinazolin-4-amine is Nc1ncnc2c(C(F)(F)F)cc(C(F)(F)F)cc12.
What is the InChIKey of 6,8-bis(trifluoromethyl)quinazolin-4-amine?
The InChIKey is CEJQFCMBOQJLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N3/c11-9(12,13)4-1-5-7(18-3-19-8(5)17)6(2-4)10(14,15)16/h1-3H,(H2,17,18,19).
What are the key properties of 6,8-bis(trifluoromethyl)quinazolin-4-amine?
6,8-bis(trifluoromethyl)quinazolin-4-amine has a molecular weight of 281.16 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 175992502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).