N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

C12H10F5N3 — CID 62173751

IUPACN-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCCNc1nc(C(F)(F)C(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H10F5N3/c1-2-18-9-7-5-3-4-6-8(7)19-10(20-9)11(13,14)12(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyNJSCRCJRJILQCL-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.72
Rot. Bonds3

About N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (PubChem CID 62173751) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
PubChem CID62173751
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC NameN-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCCNc1nc(C(F)(F)C(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H10F5N3/c1-2-18-9-7-5-3-4-6-8(7)19-10(20-9)11(13,14)12(15,16)17/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyNJSCRCJRJILQCL-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.72
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-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (CID 62173751) is N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is CCNc1nc(C(F)(F)C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The InChIKey is NJSCRCJRJILQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c1-2-18-9-7-5-3-4-6-8(7)19-10(20-9)11(13,14)12(15,16)17/h3-6H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
N-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine has a molecular weight of 291.22 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-ethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 62173751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).