N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

C12H12F3N3 — CID 64981586

IUPACN-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCNc1nc(C(F)(F)F)nc2ccc(C)cc12
InChIInChI=1S/C12H12F3N3/c1-3-16-10-8-6-7(2)4-5-9(8)17-11(18-10)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyVRYVCLMMMFSZHG-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.39
Rot. Bonds2

About N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 64981586) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID64981586
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCNc1nc(C(F)(F)F)nc2ccc(C)cc12
InChIInChI=1S/C12H12F3N3/c1-3-16-10-8-6-7(2)4-5-9(8)17-11(18-10)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,17,18)
InChIKeyVRYVCLMMMFSZHG-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (CID 64981586) is N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is CCNc1nc(C(F)(F)F)nc2ccc(C)cc12.
What is the InChIKey of N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is VRYVCLMMMFSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-3-16-10-8-6-7(2)4-5-9(8)17-11(18-10)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 255.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 64981586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).