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

C9H10F3N3 — CID 23207871

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(13)15-8/h1-4H2,(H2,13,14,15)
InChIKeyKMRUCLPZDKDELP-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.96
Rot. Bonds

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

2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 23207871) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID23207871
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(13)15-8/h1-4H2,(H2,13,14,15)
InChIKeyKMRUCLPZDKDELP-UHFFFAOYSA-N
XLogP1.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 23207871) is 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(C(F)(F)F)nc2c1CCCC2.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KMRUCLPZDKDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(13)15-8/h1-4H2,(H2,13,14,15).
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 217.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 23207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).