6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C22H21F2N5 — CID 46352569

IUPAC6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1NCc1ccc(F)cc1
InChIInChI=1S/C22H21F2N5/c1-3-19-14(2)26-22-27-20(12-16-5-4-6-18(24)11-16)28-29(22)21(19)25-13-15-7-9-17(23)10-8-15/h4-11,25H,3,12-13H2,1-2H3
InChIKeyCZYVZPLDBWUWKJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.48
Rot. Bonds6

About 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46352569) has the molecular formula C22H21F2N5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID46352569
Molecular FormulaC22H21F2N5
Molecular Weight393.44 g/mol
Exact Mass393.18
IUPAC Name6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1NCc1ccc(F)cc1
InChIInChI=1S/C22H21F2N5/c1-3-19-14(2)26-22-27-20(12-16-5-4-6-18(24)11-16)28-29(22)21(19)25-13-15-7-9-17(23)10-8-15/h4-11,25H,3,12-13H2,1-2H3
InChIKeyCZYVZPLDBWUWKJ-UHFFFAOYSA-N
XLogP4.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 46352569) is 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2nc(Cc3cccc(F)c3)nn2c1NCc1ccc(F)cc1.
What is the InChIKey of 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CZYVZPLDBWUWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5/c1-3-19-14(2)26-22-27-20(12-16-5-4-6-18(24)11-16)28-29(22)21(19)25-13-15-7-9-17(23)10-8-15/h4-11,25H,3,12-13H2,1-2H3.
What are the key properties of 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 393.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46352569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).