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

Quipazine
CID 5011
4-Aminoquinazoline
CID 84759
Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Smer 28
CID 1560402
2,4,6-Triaminoquinazoline
CID 292661
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573

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).