[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine

C16H27N5 — CID 115563125

IUPAC[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)(C)C)nc1N1CC2CCCC2C1
InChIInChI=1S/C16H27N5/c1-10-13(20-17)18-15(16(2,3)4)19-14(10)21-8-11-6-5-7-12(11)9-21/h11-12H,5-9,17H2,1-4H3,(H,18,19,20)
InChIKeyWIKGSCNNFIKOOB-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.60
Rot. Bonds2

About [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine

[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 115563125) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID115563125
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C(C)(C)C)nc1N1CC2CCCC2C1
InChIInChI=1S/C16H27N5/c1-10-13(20-17)18-15(16(2,3)4)19-14(10)21-8-11-6-5-7-12(11)9-21/h11-12H,5-9,17H2,1-4H3,(H,18,19,20)
InChIKeyWIKGSCNNFIKOOB-UHFFFAOYSA-N
XLogP2.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.60
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'}

Analyze [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine with MolForge

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Launch Full Analysis

Related Compounds

(2-tert-butyl-5-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 81006695
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563143
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 113336423
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818
1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 81000899
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421345
[2-tert-butyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 81000939
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006290
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine
CID 81001897

Frequently Asked Questions

What is the IUPAC name of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine (CID 115563125) is [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C(C)(C)C)nc1N1CC2CCCC2C1.
What is the InChIKey of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is WIKGSCNNFIKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-10-13(20-17)18-15(16(2,3)4)19-14(10)21-8-11-6-5-7-12(11)9-21/h11-12H,5-9,17H2,1-4H3,(H,18,19,20).
What are the key properties of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 289.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-tert-butyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115563125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).