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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).