N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine

C12H11F4N3 — CID 79660032

IUPACN,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)C(F)F)nc2ccc(C)cc12
InChIInChI=1S/C12H11F4N3/c1-6-3-4-8-7(5-6)9(17-2)19-11(18-8)12(15,16)10(13)14/h3-5,10H,1-2H3,(H,17,18,19)
InChIKeyDSBREDUPIHSEGY-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.34
Rot. Bonds3

About N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine

N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine (PubChem CID 79660032) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
PubChem CID79660032
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC NameN,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)C(F)F)nc2ccc(C)cc12
InChIInChI=1S/C12H11F4N3/c1-6-3-4-8-7(5-6)9(17-2)19-11(18-8)12(15,16)10(13)14/h3-5,10H,1-2H3,(H,17,18,19)
InChIKeyDSBREDUPIHSEGY-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
The IUPAC name of N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine (CID 79660032) is N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine is CNc1nc(C(F)(F)C(F)F)nc2ccc(C)cc12.
What is the InChIKey of N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
The InChIKey is DSBREDUPIHSEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-6-3-4-8-7(5-6)9(17-2)19-11(18-8)12(15,16)10(13)14/h3-5,10H,1-2H3,(H,17,18,19).
What are the key properties of N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine?
N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine has a molecular weight of 273.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(1,1,2,2-tetrafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 79660032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).