4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine

C25H24N4O2 — CID 58090677

IUPAC4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cccc(Cc2nc(Cc3cccc(OC)c3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C25H24N4O2/c1-30-21-12-6-8-18(14-21)16-23-27-24(17-19-9-7-13-22(15-19)31-2)29-25(28-23)26-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,26,27,28,29)
InChIKeyKEOFBOMETYIZEQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.81
Rot. Bonds8

About 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine

4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 58090677) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
PubChem CID58090677
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cccc(Cc2nc(Cc3cccc(OC)c3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C25H24N4O2/c1-30-21-12-6-8-18(14-21)16-23-27-24(17-19-9-7-13-22(15-19)31-2)29-25(28-23)26-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,26,27,28,29)
InChIKeyKEOFBOMETYIZEQ-UHFFFAOYSA-N
XLogP4.81
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-benzyl-1-piperidinyl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
6-[(4-benzylpiperazin-1-yl)methyl]-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667344
N-[2,6-bis(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 71570217
2-Anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 166626097
6-[(4-methoxyphenoxy)methyl]-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 714743
6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715
[2-Methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-yl]-(3-phenyl-propyl)-amine
CID 53321836
(4-Methoxy-benzyl)-[2-methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-yl]-amine
CID 53326808
4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164612435

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine (CID 58090677) is 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine is COc1cccc(Cc2nc(Cc3cccc(OC)c3)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is KEOFBOMETYIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-30-21-12-6-8-18(14-21)16-23-27-24(17-19-9-7-13-22(15-19)31-2)29-25(28-23)26-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,26,27,28,29).
What are the key properties of 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 412.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(3-methoxyphenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 58090677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).