2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine

C12H20N6 — CID 67337343

IUPAC2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine
SMILESCc1nc(N2CCN(C)CC2)ccc1N=C(N)N
InChIInChI=1S/C12H20N6/c1-9-10(16-12(13)14)3-4-11(15-9)18-7-5-17(2)6-8-18/h3-4H,5-8H2,1-2H3,(H4,13,14,16)
InChIKeyXAYNPGUOSMCHHJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.05
Rot. Bonds2

About 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine

2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine (PubChem CID 67337343) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine.

Molecular Properties

Compound Name2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine
PubChem CID67337343
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine
SMILESCc1nc(N2CCN(C)CC2)ccc1N=C(N)N
InChIInChI=1S/C12H20N6/c1-9-10(16-12(13)14)3-4-11(15-9)18-7-5-17(2)6-8-18/h3-4H,5-8H2,1-2H3,(H4,13,14,16)
InChIKeyXAYNPGUOSMCHHJ-UHFFFAOYSA-N
XLogP0.05
TPSA83.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine?
The IUPAC name of 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine (CID 67337343) is 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine.
What is the SMILES notation for 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine?
The canonical SMILES for 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine is Cc1nc(N2CCN(C)CC2)ccc1N=C(N)N.
What is the InChIKey of 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine?
The InChIKey is XAYNPGUOSMCHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-9-10(16-12(13)14)3-4-11(15-9)18-7-5-17(2)6-8-18/h3-4H,5-8H2,1-2H3,(H4,13,14,16).
What are the key properties of 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine?
2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine has a molecular weight of 248.33 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine is sourced from PubChem (CID 67337343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).