N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C18H18F3N5O2 — CID 170146414

IUPACN-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cc(N)cc(C(F)(F)F)n3)c2cc1OC
InChIInChI=1S/C18H18F3N5O2/c1-9-24-13-7-15(28-3)14(27-2)6-12(13)17(25-9)23-8-11-4-10(22)5-16(26-11)18(19,20)21/h4-7H,8H2,1-3H3,(H2,22,26)(H,23,24,25)
InChIKeyQFMRGEVSIZURRT-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.56
Rot. Bonds5

About N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 170146414) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID170146414
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC NameN-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3cc(N)cc(C(F)(F)F)n3)c2cc1OC
InChIInChI=1S/C18H18F3N5O2/c1-9-24-13-7-15(28-3)14(27-2)6-12(13)17(25-9)23-8-11-4-10(22)5-16(26-11)18(19,20)21/h4-7H,8H2,1-3H3,(H2,22,26)(H,23,24,25)
InChIKeyQFMRGEVSIZURRT-UHFFFAOYSA-N
XLogP3.56
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[4-(methylideneamino)-6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146835
7-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146531
7-methoxy-6-(1-methoxy-3-methylbutan-2-yl)oxy-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146834
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146881
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146882
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-7-methoxy-2-methyl-6-[2-(oxolan-3-yl)propan-2-yloxy]quinazolin-4-amine
CID 170146992
7-methoxy-2-methyl-6-[2-(trifluoromethoxy)ethoxy]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146898
N-[[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-methoxy-2-methyl-6-[1-[(3S)-oxolan-3-yl]ethoxy]quinazolin-4-amine
CID 170146455
[4-[[3-amino-5-(trifluoromethyl)phenyl]methylamino]-7-methoxy-2-methylquinazolin-6-yl] morpholine-4-carboxylate
CID 167197929
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
CID 170146176
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 170146414) is N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(NCc3cc(N)cc(C(F)(F)F)n3)c2cc1OC.
What is the InChIKey of N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is QFMRGEVSIZURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-9-24-13-7-15(28-3)14(27-2)6-12(13)17(25-9)23-8-11-4-10(22)5-16(26-11)18(19,20)21/h4-7H,8H2,1-3H3,(H2,22,26)(H,23,24,25).
What are the key properties of N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 393.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 170146414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).