4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine

C11H20N6 — CID 114542352

IUPAC4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC1(C)CCC(Nc2cc(NN)nc(N)n2)C1
InChIInChI=1S/C11H20N6/c1-11(2)4-3-7(6-11)14-8-5-9(17-13)16-10(12)15-8/h5,7H,3-4,6,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyOHEDBJATUXHYOZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.34
Rot. Bonds3

About 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine

4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 114542352) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID114542352
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
SMILESCC1(C)CCC(Nc2cc(NN)nc(N)n2)C1
InChIInChI=1S/C11H20N6/c1-11(2)4-3-7(6-11)14-8-5-9(17-13)16-10(12)15-8/h5,7H,3-4,6,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyOHEDBJATUXHYOZ-UHFFFAOYSA-N
XLogP1.34
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.34
H-Bond Donors ≤ 54
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 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine (CID 114542352) is 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine is CC1(C)CCC(Nc2cc(NN)nc(N)n2)C1.
What is the InChIKey of 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is OHEDBJATUXHYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-11(2)4-3-7(6-11)14-8-5-9(17-13)16-10(12)15-8/h5,7H,3-4,6,13H2,1-2H3,(H4,12,14,15,16,17).
What are the key properties of 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine?
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 114542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).