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

C23H28N6O — CID 1382129

IUPAC6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H28N6O/c1-30-20-10-6-5-9-19(20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28)
InChIKeyRNQJSCFOYDZTNE-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.66
Rot. Bonds7

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

6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1382129) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1382129
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H28N6O/c1-30-20-10-6-5-9-19(20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28)
InChIKeyRNQJSCFOYDZTNE-UHFFFAOYSA-N
XLogP3.66
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
6-[[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 96538160
2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 56526132
[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35221728
2-N-benzyl-6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 66507121
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 7230327
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 665945
2-N-(5-chloro-2-methoxyphenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 1494734

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1382129) is 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RNQJSCFOYDZTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-30-20-10-6-5-9-19(20)25-23-27-21(26-22(24)28-23)16-29-13-11-18(12-14-29)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H3,24,25,26,27,28).
What are the key properties of 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 404.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1382129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).