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

C18H26N6O — CID 2952184

IUPAC6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CC(C)CC(C)C3)n2)cc1
InChIInChI=1S/C18H26N6O/c1-12-8-13(2)10-24(9-12)11-16-21-17(19)23-18(22-16)20-14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyBHCSIGFKSFINLQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.68
Rot. Bonds5

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

6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2952184) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2952184
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CC(C)CC(C)C3)n2)cc1
InChIInChI=1S/C18H26N6O/c1-12-8-13(2)10-24(9-12)11-16-21-17(19)23-18(22-16)20-14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyBHCSIGFKSFINLQ-UHFFFAOYSA-N
XLogP2.68
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 2952184) is 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CN3CC(C)CC(C)C3)n2)cc1.
What is the InChIKey of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BHCSIGFKSFINLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-8-13(2)10-24(9-12)11-16-21-17(19)23-18(22-16)20-14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 342.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2952184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).