4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

C24H22FN5O — CID 11223762

IUPAC4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(NCc3ccccc3)nc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H22FN5O/c1-31-21-12-10-17(11-13-21)14-22-28-23(26-16-18-6-3-2-4-7-18)30-24(29-22)27-20-9-5-8-19(25)15-20/h2-13,15H,14,16H2,1H3,(H2,26,27,28,29,30)
InChIKeyUXDXTVCXNOSWSZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.97
Rot. Bonds8

About 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 11223762) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID11223762
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cc2nc(NCc3ccccc3)nc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H22FN5O/c1-31-21-12-10-17(11-13-21)14-22-28-23(26-16-18-6-3-2-4-7-18)30-24(29-22)27-20-9-5-8-19(25)15-20/h2-13,15H,14,16H2,1H3,(H2,26,27,28,29,30)
InChIKeyUXDXTVCXNOSWSZ-UHFFFAOYSA-N
XLogP4.97
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 11223762) is 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is COc1ccc(Cc2nc(NCc3ccccc3)nc(Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UXDXTVCXNOSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-31-21-12-10-17(11-13-21)14-22-28-23(26-16-18-6-3-2-4-7-18)30-24(29-22)27-20-9-5-8-19(25)15-20/h2-13,15H,14,16H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 415.47 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(3-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11223762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).