N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

C12H10F5N3 — CID 64981637

IUPACN,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C12H10F5N3/c1-6-4-3-5-7-8(6)19-10(20-9(7)18-2)11(13,14)12(15,16)17/h3-5H,1-2H3,(H,18,19,20)
InChIKeyNYSHNOBLMDTBKT-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.63
Rot. Bonds2

About N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine

N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (PubChem CID 64981637) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
PubChem CID64981637
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC NameN,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)C(F)(F)F)nc2c(C)cccc12
InChIInChI=1S/C12H10F5N3/c1-6-4-3-5-7-8(6)19-10(20-9(7)18-2)11(13,14)12(15,16)17/h3-5H,1-2H3,(H,18,19,20)
InChIKeyNYSHNOBLMDTBKT-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.63
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,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The IUPAC name of N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine (CID 64981637) is N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine.
What is the SMILES notation for N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The canonical SMILES for N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is CNc1nc(C(F)(F)C(F)(F)F)nc2c(C)cccc12.
What is the InChIKey of N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
The InChIKey is NYSHNOBLMDTBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c1-6-4-3-5-7-8(6)19-10(20-9(7)18-2)11(13,14)12(15,16)17/h3-5H,1-2H3,(H,18,19,20).
What are the key properties of N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine?
N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine has a molecular weight of 291.22 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine is sourced from PubChem (CID 64981637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).