5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine

C11H19ClN6 — CID 83027879

IUPAC5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine
SMILESCC1CCCC(C)N1Nc1nc(NN)ncc1Cl
InChIInChI=1S/C11H19ClN6/c1-7-4-3-5-8(2)18(7)17-10-9(12)6-14-11(15-10)16-13/h6-8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMFTGFDKKHMTLCC-UHFFFAOYSA-N
MW270.77 g/mol
LogP2.01
Rot. Bonds3

About 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine

5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 83027879) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine
PubChem CID83027879
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine
SMILESCC1CCCC(C)N1Nc1nc(NN)ncc1Cl
InChIInChI=1S/C11H19ClN6/c1-7-4-3-5-8(2)18(7)17-10-9(12)6-14-11(15-10)16-13/h6-8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMFTGFDKKHMTLCC-UHFFFAOYSA-N
XLogP2.01
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine (CID 83027879) is 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine is CC1CCCC(C)N1Nc1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is MFTGFDKKHMTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-7-4-3-5-8(2)18(7)17-10-9(12)6-14-11(15-10)16-13/h6-8H,3-5,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 270.77 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 83027879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).