1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine

C19H29N9 — CID 58865336

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCc1cc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc(C)n1
InChIInChI=1S/C19H29N9/c1-14-13-16(21-15(2)20-14)25-26-17-22-18(27-9-5-3-6-10-27)24-19(23-17)28-11-7-4-8-12-28/h13H,3-12H2,1-2H3,(H,20,21,25)(H,22,23,24,26)
InChIKeyMTQPQGOJHZFKFZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.70
Rot. Bonds5

About 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine

1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 58865336) has the molecular formula C19H29N9 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID58865336
Molecular FormulaC19H29N9
Molecular Weight383.50 g/mol
Exact Mass383.25
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCc1cc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc(C)n1
InChIInChI=1S/C19H29N9/c1-14-13-16(21-15(2)20-14)25-26-17-22-18(27-9-5-3-6-10-27)24-19(23-17)28-11-7-4-8-12-28/h13H,3-12H2,1-2H3,(H,20,21,25)(H,22,23,24,26)
InChIKeyMTQPQGOJHZFKFZ-UHFFFAOYSA-N
XLogP2.70
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 58865336) is 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine is Cc1cc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is MTQPQGOJHZFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N9/c1-14-13-16(21-15(2)20-14)25-26-17-22-18(27-9-5-3-6-10-27)24-19(23-17)28-11-7-4-8-12-28/h13H,3-12H2,1-2H3,(H,20,21,25)(H,22,23,24,26).
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 383.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 58865336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).