N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine

C12H12F3N3S — CID 154837193

IUPACN-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
SMILESCCNc1nc(SCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H12F3N3S/c1-2-16-10-8-5-3-4-6-9(8)17-11(18-10)19-7-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17,18)
InChIKeyVYSBKDIWQCMTRW-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.72
Rot. Bonds4

About N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine

N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine (PubChem CID 154837193) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
PubChem CID154837193
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC NameN-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
SMILESCCNc1nc(SCC(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H12F3N3S/c1-2-16-10-8-5-3-4-6-9(8)17-11(18-10)19-7-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17,18)
InChIKeyVYSBKDIWQCMTRW-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N-Benzylquinazolin-4-amine
CID 616573
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-Cyclohexylquinazolin-4-amine
CID 13231190
2,4-Quinazolinediamine, 5-fluoro-
CID 456246
N-methylquinazolin-4-amine
CID 252220
N6-benzylquinazoline-2,4,6-triamine
CID 462120
6-Phenylaminomethyl-quinazoline-2,4-diamine
CID 487412
N-(3-fluorophenyl)quinazolin-4-amine
CID 735124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine (CID 154837193) is N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine is CCNc1nc(SCC(F)(F)F)nc2ccccc12.
What is the InChIKey of N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine?
The InChIKey is VYSBKDIWQCMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-2-16-10-8-5-3-4-6-9(8)17-11(18-10)19-7-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine?
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine has a molecular weight of 287.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine is sourced from PubChem (CID 154837193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).