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

C11H20N6O — CID 80800686

IUPAC2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN1CCCC(Nc2nc(N)nc(OC)n2)C1
InChIInChI=1S/C11H20N6O/c1-3-17-6-4-5-8(7-17)13-10-14-9(12)15-11(16-10)18-2/h8H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyDLQJKRPTBLGBBF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.36
Rot. Bonds4

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

2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80800686) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80800686
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN1CCCC(Nc2nc(N)nc(OC)n2)C1
InChIInChI=1S/C11H20N6O/c1-3-17-6-4-5-8(7-17)13-10-14-9(12)15-11(16-10)18-2/h8H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyDLQJKRPTBLGBBF-UHFFFAOYSA-N
XLogP0.36
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80800686) is 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine is CCN1CCCC(Nc2nc(N)nc(OC)n2)C1.
What is the InChIKey of 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DLQJKRPTBLGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-3-17-6-4-5-8(7-17)13-10-14-9(12)15-11(16-10)18-2/h8H,3-7H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-3-yl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80800686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).