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

C9H10F3N3 — CID 640492

IUPAC4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-5-3-1-2-4-6(5)14-8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKeyDPGLGUYFUNFDRY-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.96
Rot. Bonds

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

4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 640492) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID640492
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-5-3-1-2-4-6(5)14-8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKeyDPGLGUYFUNFDRY-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 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 640492) is 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is DPGLGUYFUNFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-5-3-1-2-4-6(5)14-8(13)15-7/h1-4H2,(H2,13,14,15).
What are the key properties of 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-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 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 640492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).