[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

C14H24N6 — CID 80914467

IUPAC[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCCN3CCCC3C2)n1
InChIInChI=1S/C14H24N6/c1-10-13(18-15)16-11(2)17-14(10)20-8-4-7-19-6-3-5-12(19)9-20/h12H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyJSDGFEJYUGVGMP-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.05
Rot. Bonds2

About [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80914467) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80914467
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCCN3CCCC3C2)n1
InChIInChI=1S/C14H24N6/c1-10-13(18-15)16-11(2)17-14(10)20-8-4-7-19-6-3-5-12(19)9-20/h12H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyJSDGFEJYUGVGMP-UHFFFAOYSA-N
XLogP1.05
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80914467) is [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(N2CCCN3CCCC3C2)n1.
What is the InChIKey of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is JSDGFEJYUGVGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-10-13(18-15)16-11(2)17-14(10)20-8-4-7-19-6-3-5-12(19)9-20/h12H,3-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 276.39 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80914467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).