N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine

C13H14F3N3 — CID 155520248

IUPACN-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)CNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C13H14F3N3/c1-8(2)7-17-11-9-5-3-4-6-10(9)18-12(19-11)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19)
InChIKeyMQTKYTBHJSQWTR-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.72
Rot. Bonds3

About N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine

N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 155520248) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID155520248
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCC(C)CNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C13H14F3N3/c1-8(2)7-17-11-9-5-3-4-6-10(9)18-12(19-11)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19)
InChIKeyMQTKYTBHJSQWTR-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine
CID 52680047
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
N-[3-(2-methylpropoxy)propyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 154835565
2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
CID 154835239
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
1-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propan-2-ol
CID 21003322
N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 62173751
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55591017
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 71937141
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 155520248) is N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine is CC(C)CNc1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is MQTKYTBHJSQWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(2)7-17-11-9-5-3-4-6-10(9)18-12(19-11)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine?
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 269.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 155520248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).