N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine

C20H19F6N5O2 — CID 170146176

IUPACN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCOc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1C(F)(F)F
InChIInChI=1S/C20H19F6N5O2/c1-10-29-14-8-13(19(21,22)23)15(33-4-3-32-2)7-12(14)18(30-10)28-9-11-5-16(20(24,25)26)31-17(27)6-11/h5-8H,3-4,9H2,1-2H3,(H2,27,31)(H,28,29,30)
InChIKeyXFHHLOIIFQOJOG-UHFFFAOYSA-N
MW475.39 g/mol
LogP4.59
Rot. Bonds7

About N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine

N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine (PubChem CID 170146176) has the molecular formula C20H19F6N5O2 and a molecular weight of 475.39 g/mol. Its IUPAC name is N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
PubChem CID170146176
Molecular FormulaC20H19F6N5O2
Molecular Weight475.39 g/mol
Exact Mass475.14
IUPAC NameN-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine
SMILESCOCCOc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1C(F)(F)F
InChIInChI=1S/C20H19F6N5O2/c1-10-29-14-8-13(19(21,22)23)15(33-4-3-32-2)7-12(14)18(30-10)28-9-11-5-16(20(24,25)26)31-17(27)6-11/h5-8H,3-4,9H2,1-2H3,(H2,27,31)(H,28,29,30)
InChIKeyXFHHLOIIFQOJOG-UHFFFAOYSA-N
XLogP4.59
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine with MolForge

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Related Compounds

4-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazoline-7-carbonitrile
CID 170146194
6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146165
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146881
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146152
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-6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazolin-4-amine
CID 170146531
6-(2-cyclopropyloxyethoxy)-2-methyl-7-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146747
N-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methyl]-6,7-bis(2-methoxyethoxy)-2-methylquinazolin-4-amine
CID 170146156
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414
N-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]methyl]-6-(2,3-dimethoxypropoxy)-7-methoxy-2-methylquinazolin-4-amine
CID 170146882
4-[[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]methylamino]-6-(2-methoxyethoxy)-2-methylquinazolin-7-ol
CID 167029067
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine (CID 170146176) is N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine is COCCOc1cc2c(NCc3cc(N)nc(C(F)(F)F)c3)nc(C)nc2cc1C(F)(F)F.
What is the InChIKey of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is XFHHLOIIFQOJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N5O2/c1-10-29-14-8-13(19(21,22)23)15(33-4-3-32-2)7-12(14)18(30-10)28-9-11-5-16(20(24,25)26)31-17(27)6-11/h5-8H,3-4,9H2,1-2H3,(H2,27,31)(H,28,29,30).
What are the key properties of N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine?
N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 475.39 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]-6-(2-methoxyethoxy)-2-methyl-7-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 170146176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).