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

C26H26N4O — CID 58090752

IUPACN-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)c1
InChIInChI=1S/C26H26N4O/c1-18-7-4-9-20(13-18)15-24-28-25(16-21-10-5-8-19(2)14-21)30-26(29-24)27-22-11-6-12-23(17-22)31-3/h4-14,17H,15-16H2,1-3H3,(H,27,28,29,30)
InChIKeyXLKXWXZFDSQTCG-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.42
Rot. Bonds7

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

N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 58090752) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID58090752
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCOc1cccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)c1
InChIInChI=1S/C26H26N4O/c1-18-7-4-9-20(13-18)15-24-28-25(16-21-10-5-8-19(2)14-21)30-26(29-24)27-22-11-6-12-23(17-22)31-3/h4-14,17H,15-16H2,1-3H3,(H,27,28,29,30)
InChIKeyXLKXWXZFDSQTCG-UHFFFAOYSA-N
XLogP5.42
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-6-methyl-4-phenylquinazolin-2-amine
CID 948705
N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine
CID 4841865
4-(3,4-dihydro-1(2H)-quinolinyl)-6-{[4-(3-methoxyphenyl)-1-piperazinyl]methyl}-1,3,5-triazin-2-amine
CID 1500638
N-(3-methoxyphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 16014886
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 44526645
N-(3-methoxyphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 45264997
2-benzyl-N-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;hydrochloride
CID 73355004
2-N-benzyl-4-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915721
2-N-benzyl-4-N-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 145983020
4-N-benzyl-2-N-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 145985467
N-(3-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 162655759
6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine (CID 58090752) is N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is COc1cccc(Nc2nc(Cc3cccc(C)c3)nc(Cc3cccc(C)c3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is XLKXWXZFDSQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-7-4-9-20(13-18)15-24-28-25(16-21-10-5-8-19(2)14-21)30-26(29-24)27-22-11-6-12-23(17-22)31-3/h4-14,17H,15-16H2,1-3H3,(H,27,28,29,30).
What are the key properties of N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine?
N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 410.52 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58090752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).