2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

C25H32N6O — CID 57394867

IUPAC2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H32N6O/c1-17-14-18(2)22(19(3)15-17)27-24-28-23(29-25(30-24)32-4)26-21-10-12-31(13-11-21)16-20-8-6-5-7-9-20/h5-9,14-15,21H,10-13,16H2,1-4H3,(H2,26,27,28,29,30)
InChIKeySVLPKKKLGPYXHD-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.63
Rot. Bonds7

About 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 57394867) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID57394867
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H32N6O/c1-17-14-18(2)22(19(3)15-17)27-24-28-23(29-25(30-24)32-4)26-21-10-12-31(13-11-21)16-20-8-6-5-7-9-20/h5-9,14-15,21H,10-13,16H2,1-4H3,(H2,26,27,28,29,30)
InChIKeySVLPKKKLGPYXHD-UHFFFAOYSA-N
XLogP4.63
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine (CID 57394867) is 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is COc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SVLPKKKLGPYXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-17-14-18(2)22(19(3)15-17)27-24-28-23(29-25(30-24)32-4)26-21-10-12-31(13-11-21)16-20-8-6-5-7-9-20/h5-9,14-15,21H,10-13,16H2,1-4H3,(H2,26,27,28,29,30).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 432.57 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-6-methoxy-4-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57394867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).