[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine

C16H29N5 — CID 80995529

IUPAC[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCCC1CCN(c2nc(C(C)(C)C)nc(NN)c2C)CC1
InChIInChI=1S/C16H29N5/c1-6-12-7-9-21(10-8-12)14-11(2)13(20-17)18-15(19-14)16(3,4)5/h12H,6-10,17H2,1-5H3,(H,18,19,20)
InChIKeyLTCZRVLZQZMVCW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.99
Rot. Bonds3

About [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80995529) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80995529
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCCC1CCN(c2nc(C(C)(C)C)nc(NN)c2C)CC1
InChIInChI=1S/C16H29N5/c1-6-12-7-9-21(10-8-12)14-11(2)13(20-17)18-15(19-14)16(3,4)5/h12H,6-10,17H2,1-5H3,(H,18,19,20)
InChIKeyLTCZRVLZQZMVCW-UHFFFAOYSA-N
XLogP2.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
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

(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563125
2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80984976
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
[3,5-dichloro-6-(4-ethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102761732
1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 81000899
6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80823095
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine (CID 80995529) is [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine is CCC1CCN(c2nc(C(C)(C)C)nc(NN)c2C)CC1.
What is the InChIKey of [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is LTCZRVLZQZMVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-12-7-9-21(10-8-12)14-11(2)13(20-17)18-15(19-14)16(3,4)5/h12H,6-10,17H2,1-5H3,(H,18,19,20).
What are the key properties of [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 291.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80995529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).