4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C24H28FN7O2 — CID 59284581

IUPAC4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2F)nc(N2CCCC2)n1
InChIInChI=1S/C24H28FN7O2/c1-33-21-16-17(31-12-14-34-15-13-31)8-9-20(21)27-23-28-22(26-19-7-3-2-6-18(19)25)29-24(30-23)32-10-4-5-11-32/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,26,27,28,29,30)
InChIKeyUACWBLOOKJTTBA-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.94
Rot. Bonds7

About 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 59284581) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID59284581
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2F)nc(N2CCCC2)n1
InChIInChI=1S/C24H28FN7O2/c1-33-21-16-17(31-12-14-34-15-13-31)8-9-20(21)27-23-28-22(26-19-7-3-2-6-18(19)25)29-24(30-23)32-10-4-5-11-32/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,26,27,28,29,30)
InChIKeyUACWBLOOKJTTBA-UHFFFAOYSA-N
XLogP3.94
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine 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 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 59284581) is 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2F)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UACWBLOOKJTTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-33-21-16-17(31-12-14-34-15-13-31)8-9-20(21)27-23-28-22(26-19-7-3-2-6-18(19)25)29-24(30-23)32-10-4-5-11-32/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 465.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59284581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).