N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C15H27N5 — CID 80968823

IUPACN-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NC2CCCCCCC2)n1
InChIInChI=1S/C15H27N5/c1-11(2)15-18-13(10-14(19-15)20-16)17-12-8-6-4-3-5-7-9-12/h10-12H,3-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyMORIMAOQOWBECM-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.41
Rot. Bonds4

About N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80968823) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80968823
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NN)cc(NC2CCCCCCC2)n1
InChIInChI=1S/C15H27N5/c1-11(2)15-18-13(10-14(19-15)20-16)17-12-8-6-4-3-5-7-9-12/h10-12H,3-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyMORIMAOQOWBECM-UHFFFAOYSA-N
XLogP3.41
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 80968823) is N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(NN)cc(NC2CCCCCCC2)n1.
What is the InChIKey of N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MORIMAOQOWBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)15-18-13(10-14(19-15)20-16)17-12-8-6-4-3-5-7-9-12/h10-12H,3-9,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80968823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).