2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C11H14F3N3O — CID 103476134

IUPAC2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(COCC(F)(F)F)ncc21
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-10-16-4-7-8(15)2-1-3-9(7)17-10/h4,8H,1-3,5-6,15H2
InChIKeyDCRYFOVXJYDJLI-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.89
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 103476134) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID103476134
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(COCC(F)(F)F)ncc21
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-10-16-4-7-8(15)2-1-3-9(7)17-10/h4,8H,1-3,5-6,15H2
InChIKeyDCRYFOVXJYDJLI-UHFFFAOYSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 103476134) is 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(COCC(F)(F)F)ncc21.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is DCRYFOVXJYDJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-10-16-4-7-8(15)2-1-3-9(7)17-10/h4,8H,1-3,5-6,15H2.
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 261.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 103476134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).