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'}

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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).