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

C18H26N6O — CID 2950845

IUPAC2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(N)nc(CN2CCCCC2C)n1
InChIInChI=1S/C18H26N6O/c1-3-25-15-10-5-4-9-14(15)20-18-22-16(21-17(19)23-18)12-24-11-7-6-8-13(24)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyHHXJKPQCRMZZEA-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.97
Rot. Bonds6

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

2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2950845) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID2950845
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccccc1Nc1nc(N)nc(CN2CCCCC2C)n1
InChIInChI=1S/C18H26N6O/c1-3-25-15-10-5-4-9-14(15)20-18-22-16(21-17(19)23-18)12-24-11-7-6-8-13(24)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyHHXJKPQCRMZZEA-UHFFFAOYSA-N
XLogP2.97
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 2950845) is 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is CCOc1ccccc1Nc1nc(N)nc(CN2CCCCC2C)n1.
What is the InChIKey of 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HHXJKPQCRMZZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-25-15-10-5-4-9-14(15)20-18-22-16(21-17(19)23-18)12-24-11-7-6-8-13(24)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 342.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2950845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).