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

C9H10F3N3 — CID 64754707

IUPAC6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1ncc2c(n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)6-1-2-7-5(3-6)4-14-8(13)15-7/h4,6H,1-3H2,(H2,13,14,15)
InChIKeyURBPOTZHKLPAEG-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.73
Rot. Bonds

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

6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 64754707) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID64754707
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1ncc2c(n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C9H10F3N3/c10-9(11,12)6-1-2-7-5(3-6)4-14-8(13)15-7/h4,6H,1-3H2,(H2,13,14,15)
InChIKeyURBPOTZHKLPAEG-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinelorane
CID 57242
Pyrido(2,3-g)quinazolin-2-amine, 5,5a,6,7,8,9,9a,10-octahydro-6-propyl-, (5aS-trans)-
CID 18596256
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 9992142
5,6,7,8-Tetrahydroquinazoline
CID 637537
2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 53471483
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
2-Methyl-5,6,7,8-tetrahydroquinazolin-6-amine
CID 16228810
5,6,7,8,9,10-Hexahydrocycloocta[d]pyrimidin-2-amine
CID 57327898
2-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12933876

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 64754707) is 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1ncc2c(n1)CCC(C(F)(F)F)C2.
What is the InChIKey of 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is URBPOTZHKLPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)6-1-2-7-5(3-6)4-14-8(13)15-7/h4,6H,1-3H2,(H2,13,14,15).
What are the key properties of 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 217.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 64754707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).