N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C11H14F3N3 — CID 62008492

IUPACN-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(CC(F)(F)F)ncc21
InChIInChI=1S/C11H14F3N3/c1-15-8-3-2-4-9-7(8)6-16-10(17-9)5-11(12,13)14/h6,8,15H,2-5H2,1H3
InChIKeyGAGGVRJAZFLNJV-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62008492) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62008492
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(CC(F)(F)F)ncc21
InChIInChI=1S/C11H14F3N3/c1-15-8-3-2-4-9-7(8)6-16-10(17-9)5-11(12,13)14/h6,8,15H,2-5H2,1H3
InChIKeyGAGGVRJAZFLNJV-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62008492) is N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CNC1CCCc2nc(CC(F)(F)F)ncc21.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is GAGGVRJAZFLNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-15-8-3-2-4-9-7(8)6-16-10(17-9)5-11(12,13)14/h6,8,15H,2-5H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 245.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).