N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C20H19ClFN5O — CID 176571062

IUPACN-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Cc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H19ClFN5O/c21-15-2-1-3-17(13-15)23-19-24-18(12-14-4-6-16(22)7-5-14)25-20(26-19)27-8-10-28-11-9-27/h1-7,13H,8-12H2,(H,23,24,25,26)
InChIKeyLTETZUUZYSPLGS-UHFFFAOYSA-N
MW399.86 g/mol
LogP3.84
Rot. Bonds5

About N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 176571062) has the molecular formula C20H19ClFN5O and a molecular weight of 399.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID176571062
Molecular FormulaC20H19ClFN5O
Molecular Weight399.86 g/mol
Exact Mass399.13
IUPAC NameN-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Cc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H19ClFN5O/c21-15-2-1-3-17(13-15)23-19-24-18(12-14-4-6-16(22)7-5-14)25-20(26-19)27-8-10-28-11-9-27/h1-7,13H,8-12H2,(H,23,24,25,26)
InChIKeyLTETZUUZYSPLGS-UHFFFAOYSA-N
XLogP3.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 176571062) is N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Fc1ccc(Cc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is LTETZUUZYSPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O/c21-15-2-1-3-17(13-15)23-19-24-18(12-14-4-6-16(22)7-5-14)25-20(26-19)27-8-10-28-11-9-27/h1-7,13H,8-12H2,(H,23,24,25,26).
What are the key properties of N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 399.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 176571062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).