4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine

C10H17N5O2 — CID 58972441

IUPAC4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCNCC2)nc(OC)n1
InChIInChI=1S/C10H17N5O2/c1-16-9-13-8(14-10(15-9)17-2)12-7-3-5-11-6-4-7/h7,11H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyMSIKLHGMOKVZEL-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.05
Rot. Bonds4

About 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine

4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine (PubChem CID 58972441) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine
PubChem CID58972441
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCNCC2)nc(OC)n1
InChIInChI=1S/C10H17N5O2/c1-16-9-13-8(14-10(15-9)17-2)12-7-3-5-11-6-4-7/h7,11H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyMSIKLHGMOKVZEL-UHFFFAOYSA-N
XLogP0.05
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine (CID 58972441) is 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine is COc1nc(NC2CCNCC2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MSIKLHGMOKVZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-16-9-13-8(14-10(15-9)17-2)12-7-3-5-11-6-4-7/h7,11H,3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-piperidin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 58972441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).