2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol

C12H16F3N3O — CID 7106517

IUPAC2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
SMILESC[C@@H]1CCc2nc(NCCO)nc(C(F)(F)F)c2C1
InChIInChI=1S/C12H16F3N3O/c1-7-2-3-9-8(6-7)10(12(13,14)15)18-11(17-9)16-4-5-19/h7,19H,2-6H2,1H3,(H,16,17,18)/t7-/m1/s1
InChIKeyRJISTTKVAXCGAC-SSDOTTSWSA-N
MW275.27 g/mol
LogP2.02
Rot. Bonds3

About 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol

2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol (PubChem CID 7106517) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
PubChem CID7106517
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
SMILESC[C@@H]1CCc2nc(NCCO)nc(C(F)(F)F)c2C1
InChIInChI=1S/C12H16F3N3O/c1-7-2-3-9-8(6-7)10(12(13,14)15)18-11(17-9)16-4-5-19/h7,19H,2-6H2,1H3,(H,16,17,18)/t7-/m1/s1
InChIKeyRJISTTKVAXCGAC-SSDOTTSWSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-{[6-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]amino}ethanol
CID 2941817
2-[6-Propan-2-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]guanidine
CID 11208834
2-[6-Tert-butyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]guanidine
CID 11313073
N-(2-(4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl)acetamide
CID 71797100
2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
CID 7106518
N-propyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191472
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191642
3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62745270
(3R*,4R*)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
CID 70747612
{4-[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-YL]-1,4-oxazepan-6-YL}methanol
CID 70748020
N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71920245
N-ethyl-2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 79965195

Frequently Asked Questions

What is the IUPAC name of 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol?
The IUPAC name of 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol (CID 7106517) is 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol is C[C@@H]1CCc2nc(NCCO)nc(C(F)(F)F)c2C1.
What is the InChIKey of 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol?
The InChIKey is RJISTTKVAXCGAC-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-2-3-9-8(6-7)10(12(13,14)15)18-11(17-9)16-4-5-19/h7,19H,2-6H2,1H3,(H,16,17,18)/t7-/m1/s1.
What are the key properties of 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol?
2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol is sourced from PubChem (CID 7106517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).