2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine

C14H25N5O — CID 83005376

IUPAC2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NN2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H25N5O/c1-11(2)10-20-14-12(15)4-5-13(16-14)17-19-8-6-18(3)7-9-19/h4-5,11H,6-10,15H2,1-3H3,(H,16,17)
InChIKeyJMWILROKZDVWRP-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.27
Rot. Bonds5

About 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 83005376) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID83005376
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NN2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H25N5O/c1-11(2)10-20-14-12(15)4-5-13(16-14)17-19-8-6-18(3)7-9-19/h4-5,11H,6-10,15H2,1-3H3,(H,16,17)
InChIKeyJMWILROKZDVWRP-UHFFFAOYSA-N
XLogP1.27
TPSA66.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 83005376) is 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine is CC(C)COc1nc(NN2CCN(C)CC2)ccc1N.
What is the InChIKey of 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is JMWILROKZDVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)10-20-14-12(15)4-5-13(16-14)17-19-8-6-18(3)7-9-19/h4-5,11H,6-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 83005376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).