4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine

C12H22N6 — CID 80932783

IUPAC4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(NC2CCCCCCC2)nc(N)n1
InChIInChI=1S/C12H22N6/c13-12-16-10(8-11(17-12)18-14)15-9-6-4-2-1-3-5-7-9/h8-9H,1-7,14H2,(H4,13,15,16,17,18)
InChIKeyLNHDSROHTAPCHF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.87
Rot. Bonds3

About 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine

4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80932783) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80932783
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(NC2CCCCCCC2)nc(N)n1
InChIInChI=1S/C12H22N6/c13-12-16-10(8-11(17-12)18-14)15-9-6-4-2-1-3-5-7-9/h8-9H,1-7,14H2,(H4,13,15,16,17,18)
InChIKeyLNHDSROHTAPCHF-UHFFFAOYSA-N
XLogP1.87
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.87
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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Related Compounds

4-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932012
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
6-hydrazinyl-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
CID 80925560
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80932883
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
4-N-(2,3-dimethylcyclohexyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80944187
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine (CID 80932783) is 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine is NNc1cc(NC2CCCCCCC2)nc(N)n1.
What is the InChIKey of 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is LNHDSROHTAPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c13-12-16-10(8-11(17-12)18-14)15-9-6-4-2-1-3-5-7-9/h8-9H,1-7,14H2,(H4,13,15,16,17,18).
What are the key properties of 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine?
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80932783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).