N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C12H16F3N3 — CID 62191642

IUPACN-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C12H16F3N3/c1-2-16-11-8-5-3-4-6-9(8)17-10(18-11)7-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyURCDXYOJSZTVET-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.89
Rot. Bonds3

About N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62191642) 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-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62191642
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C12H16F3N3/c1-2-16-11-8-5-3-4-6-9(8)17-10(18-11)7-12(13,14)15/h2-7H2,1H3,(H,16,17,18)
InChIKeyURCDXYOJSZTVET-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-4-amine?
The IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62191642) is N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(CC(F)(F)F)nc2c1CCCC2.
What is the InChIKey of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is URCDXYOJSZTVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-2-16-11-8-5-3-4-6-9(8)17-10(18-11)7-12(13,14)15/h2-7H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.89, 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-4-amine is sourced from PubChem (CID 62191642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).