2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C11H14F3N3O — CID 103476164

IUPAC2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(COCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-9-16-8-4-2-1-3-7(8)10(15)17-9/h1-6H2,(H2,15,16,17)
InChIKeyAWRUIZILUXOIOM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.02
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103476164) 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-4-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103476164
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(COCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-9-16-8-4-2-1-3-7(8)10(15)17-9/h1-6H2,(H2,15,16,17)
InChIKeyAWRUIZILUXOIOM-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-4-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103476164) is 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(COCC(F)(F)F)nc2c1CCCC2.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is AWRUIZILUXOIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-18-5-9-16-8-4-2-1-3-7(8)10(15)17-9/h1-6H2,(H2,15,16,17).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 261.25 g/mol, XLogP of 2.02, 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-4-amine is sourced from PubChem (CID 103476164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).