7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C19H17F4N3 — CID 167166217

IUPAC7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESCc1nc(NCc2cccc(C(F)(F)F)c2C)c2cc(C)c(F)cc2n1
InChIInChI=1S/C19H17F4N3/c1-10-7-14-17(8-16(10)20)25-12(3)26-18(14)24-9-13-5-4-6-15(11(13)2)19(21,22)23/h4-8H,9H2,1-3H3,(H,24,25,26)
InChIKeyHTZRRHCGRLKPAO-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.33
Rot. Bonds3

About 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 167166217) has the molecular formula C19H17F4N3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID167166217
Molecular FormulaC19H17F4N3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESCc1nc(NCc2cccc(C(F)(F)F)c2C)c2cc(C)c(F)cc2n1
InChIInChI=1S/C19H17F4N3/c1-10-7-14-17(8-16(10)20)25-12(3)26-18(14)24-9-13-5-4-6-15(11(13)2)19(21,22)23/h4-8H,9H2,1-3H3,(H,24,25,26)
InChIKeyHTZRRHCGRLKPAO-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166011
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146152
2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(oxan-4-yl)pyrido[4,3-d]pyrimidin-7-one
CID 165398624
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146156
1-[7-chloro-2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 164918356
6-[[3,3-difluoro-1-(methoxymethyl)cyclobutyl]methoxy]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methylquinazolin-4-amine
CID 170146722
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-[2-(1-methylcyclobutyl)oxyethoxy]quinazolin-4-amine
CID 170146371
2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(4-propan-2-ylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164919100
N-[[3-[amino(difluoro)methyl]-2-fluorophenyl]methyl]-7-methoxy-2,6-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 168949065
2,7-dimethyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)pyrido[3,4-d]pyrimidin-8-one
CID 166546472
ethane;2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(4-propan-2-ylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164919099
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 167166217) is 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is Cc1nc(NCc2cccc(C(F)(F)F)c2C)c2cc(C)c(F)cc2n1.
What is the InChIKey of 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is HTZRRHCGRLKPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3/c1-10-7-14-17(8-16(10)20)25-12(3)26-18(14)24-9-13-5-4-6-15(11(13)2)19(21,22)23/h4-8H,9H2,1-3H3,(H,24,25,26).
What are the key properties of 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 363.36 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 167166217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).