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

C14H23N5 — CID 113336423

IUPAC[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(N2CC3CCCC3C2)n1
InChIInChI=1S/C14H23N5/c1-3-12-16-13(18-15)9(2)14(17-12)19-7-10-5-4-6-11(10)8-19/h10-11H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyBWJSOFCHTIZCGK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds3

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

[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 113336423) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID113336423
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)c(C)c(N2CC3CCCC3C2)n1
InChIInChI=1S/C14H23N5/c1-3-12-16-13(18-15)9(2)14(17-12)19-7-10-5-4-6-11(10)8-19/h10-11H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyBWJSOFCHTIZCGK-UHFFFAOYSA-N
XLogP1.87
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 113336423) is [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-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-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(NN)c(C)c(N2CC3CCCC3C2)n1.
What is the InChIKey of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is BWJSOFCHTIZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-12-16-13(18-15)9(2)14(17-12)19-7-10-5-4-6-11(10)8-19/h10-11H,3-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 261.37 g/mol, XLogP of 1.87, 3 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-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 113336423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).