7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine

C12H16F3N3 — CID 62008483

IUPAC7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(CC(F)(F)F)ncc2C(N)C1
InChIInChI=1S/C12H16F3N3/c1-11(2)3-8(16)7-6-17-10(5-12(13,14)15)18-9(7)4-11/h6,8H,3-5,16H2,1-2H3
InChIKeyQZWYCORQBMLCKN-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.55
Rot. Bonds1

About 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine

7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62008483) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62008483
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(CC(F)(F)F)ncc2C(N)C1
InChIInChI=1S/C12H16F3N3/c1-11(2)3-8(16)7-6-17-10(5-12(13,14)15)18-9(7)4-11/h6,8H,3-5,16H2,1-2H3
InChIKeyQZWYCORQBMLCKN-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine (CID 62008483) is 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(CC(F)(F)F)ncc2C(N)C1.
What is the InChIKey of 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is QZWYCORQBMLCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-11(2)3-8(16)7-6-17-10(5-12(13,14)15)18-9(7)4-11/h6,8H,3-5,16H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine?
7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 259.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62008483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).