[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

C13H22N6 — CID 80928966

IUPAC[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCN3CCCC3C2)n1
InChIInChI=1S/C13H22N6/c1-9-12(17-14)15-10(2)16-13(9)19-7-6-18-5-3-4-11(18)8-19/h11H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyPDDDKICWQREFCI-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.66
Rot. Bonds2

About [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80928966) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80928966
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCN3CCCC3C2)n1
InChIInChI=1S/C13H22N6/c1-9-12(17-14)15-10(2)16-13(9)19-7-6-18-5-3-4-11(18)8-19/h11H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyPDDDKICWQREFCI-UHFFFAOYSA-N
XLogP0.66
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.66
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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Related Compounds

[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
[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80905049
[6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80909718
[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80919581
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
N,2,5-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80854791
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80838425
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 80970597
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80930087
[6-(2,5-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80923917

Frequently Asked Questions

What is the IUPAC name of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80928966) is [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(N2CCN3CCCC3C2)n1.
What is the InChIKey of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is PDDDKICWQREFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9-12(17-14)15-10(2)16-13(9)19-7-6-18-5-3-4-11(18)8-19/h11H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 262.36 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80928966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).