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

C12H16F3N3 — CID 62009483

IUPACN-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(CC(F)(F)F)ncc21
InChIInChI=1S/C12H16F3N3/c1-2-16-9-4-3-5-10-8(9)7-17-11(18-10)6-12(13,14)15/h7,9,16H,2-6H2,1H3
InChIKeyHIRXYIQUTYTTLB-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.57
Rot. Bonds3

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

N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62009483) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62009483
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(CC(F)(F)F)ncc21
InChIInChI=1S/C12H16F3N3/c1-2-16-9-4-3-5-10-8(9)7-17-11(18-10)6-12(13,14)15/h7,9,16H,2-6H2,1H3
InChIKeyHIRXYIQUTYTTLB-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62009483) is N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(CC(F)(F)F)ncc21.
What is the InChIKey of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is HIRXYIQUTYTTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-2-16-9-4-3-5-10-8(9)7-17-11(18-10)6-12(13,14)15/h7,9,16H,2-6H2,1H3.
What are the key properties of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 259.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62009483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).