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

C20H20F3N3O — CID 167166011

IUPAC7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cccc(C(F)(F)F)c3C)c2cc1C
InChIInChI=1S/C20H20F3N3O/c1-11-8-15-17(9-18(11)27-4)25-13(3)26-19(15)24-10-14-6-5-7-16(12(14)2)20(21,22)23/h5-9H,10H2,1-4H3,(H,24,25,26)
InChIKeyPXUVLRBASNCJFY-UHFFFAOYSA-N
MW375.39 g/mol
LogP5.19
Rot. Bonds4

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

7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 167166011) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID167166011
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cccc(C(F)(F)F)c3C)c2cc1C
InChIInChI=1S/C20H20F3N3O/c1-11-8-15-17(9-18(11)27-4)25-13(3)26-19(15)24-10-14-6-5-7-16(12(14)2)20(21,22)23/h5-9H,10H2,1-4H3,(H,24,25,26)
InChIKeyPXUVLRBASNCJFY-UHFFFAOYSA-N
XLogP5.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166217
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146152
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
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
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146156
2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(oxan-4-yl)pyrido[4,3-d]pyrimidin-7-one
CID 165398624
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-(3,3,3-trifluoro-2-methoxypropoxy)quinazolin-4-amine
CID 170146872
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146499
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxyquinazolin-4-amine
CID 170146224
N-[[3-[amino(difluoro)methyl]-2-fluorophenyl]methyl]-7-methoxy-2,6-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 168949065
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-6-(2-methoxybutoxy)-2-methylquinazolin-4-amine
CID 170146235

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 167166011) is 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is COc1cc2nc(C)nc(NCc3cccc(C(F)(F)F)c3C)c2cc1C.
What is the InChIKey of 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is PXUVLRBASNCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-11-8-15-17(9-18(11)27-4)25-13(3)26-19(15)24-10-14-6-5-7-16(12(14)2)20(21,22)23/h5-9H,10H2,1-4H3,(H,24,25,26).
What are the key properties of 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 375.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 167166011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).