2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine

C16H29N5 — CID 80969325

IUPAC2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NC2CCCCCCC2)n1
InChIInChI=1S/C16H29N5/c1-16(2,3)15-19-13(11-14(20-15)21-17)18-12-9-7-5-4-6-8-10-12/h11-12H,4-10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyWUHLOVRFWCXFQY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.58
Rot. Bonds3

About 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine

2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80969325) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80969325
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NC2CCCCCCC2)n1
InChIInChI=1S/C16H29N5/c1-16(2,3)15-19-13(11-14(20-15)21-17)18-12-9-7-5-4-6-8-10-12/h11-12H,4-10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyWUHLOVRFWCXFQY-UHFFFAOYSA-N
XLogP3.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.58
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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Related Compounds

4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
N-cyclooctyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968823
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
2-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
CID 80979775
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
CID 80969799
2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 82456779

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine (CID 80969325) is 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(NC2CCCCCCC2)n1.
What is the InChIKey of 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is WUHLOVRFWCXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-16(2,3)15-19-13(11-14(20-15)21-17)18-12-9-7-5-4-6-8-10-12/h11-12H,4-10,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine?
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80969325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).