2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine

C16H22N6O — CID 942531

IUPAC2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCCCC2)n1
InChIInChI=1S/C16H22N6O/c1-23-13-8-4-3-7-12(13)18-16-20-14(19-15(17)21-16)11-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H3,17,18,19,20,21)
InChIKeyRBMSANNHSNPPNR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds5

About 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 942531) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID942531
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCCCC2)n1
InChIInChI=1S/C16H22N6O/c1-23-13-8-4-3-7-12(13)18-16-20-14(19-15(17)21-16)11-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H3,17,18,19,20,21)
InChIKeyRBMSANNHSNPPNR-UHFFFAOYSA-N
XLogP2.19
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 942531) is 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CN2CCCCC2)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RBMSANNHSNPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-23-13-8-4-3-7-12(13)18-16-20-14(19-15(17)21-16)11-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 942531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).