6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine

C11H19N5O — CID 83005986

IUPAC6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NN2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5O/c1-15-5-7-16(8-6-15)14-11-9(12)3-4-10(13-11)17-2/h3-4H,5-8,12H2,1-2H3,(H,13,14)
InChIKeyJODVNNRYRDXLAR-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.25
Rot. Bonds3

About 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine

6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine (PubChem CID 83005986) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine
PubChem CID83005986
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NN2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5O/c1-15-5-7-16(8-6-15)14-11-9(12)3-4-10(13-11)17-2/h3-4H,5-8,12H2,1-2H3,(H,13,14)
InChIKeyJODVNNRYRDXLAR-UHFFFAOYSA-N
XLogP0.25
TPSA66.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine (CID 83005986) is 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine is COc1ccc(N)c(NN2CCN(C)CC2)n1.
What is the InChIKey of 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine?
The InChIKey is JODVNNRYRDXLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-5-7-16(8-6-15)14-11-9(12)3-4-10(13-11)17-2/h3-4H,5-8,12H2,1-2H3,(H,13,14).
What are the key properties of 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine?
6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine is sourced from PubChem (CID 83005986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).