2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 80804374

IUPAC2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-2-10-20-13-17-11(14)16-12(18-13)15-6-9-19-7-4-3-5-8-19/h2-10H2,1H3,(H3,14,15,16,17,18)
InChIKeyINDAEQSPOFUFEP-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.14
Rot. Bonds7

About 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80804374) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80804374
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-2-10-20-13-17-11(14)16-12(18-13)15-6-9-19-7-4-3-5-8-19/h2-10H2,1H3,(H3,14,15,16,17,18)
InChIKeyINDAEQSPOFUFEP-UHFFFAOYSA-N
XLogP1.14
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 106327660
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
6-propan-2-yloxy-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830703
4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 106193903
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-[(1-methylimidazol-2-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80830560
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80804374) is 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCCN2CCCCC2)n1.
What is the InChIKey of 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is INDAEQSPOFUFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-2-10-20-13-17-11(14)16-12(18-13)15-6-9-19-7-4-3-5-8-19/h2-10H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80804374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).