8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione

C10H18N6O2 — CID 78203583

IUPAC8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
SMILESCC(C)CN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C10H18N6O2/c1-5(2)4-16-6-7(12-9(16)14-11)15(3)10(18)13-8(6)17/h5-7H,4,11H2,1-3H3,(H,12,14)(H,13,17,18)
InChIKeyAXHHBIIIWTXPOA-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.35
Rot. Bonds2

About 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione

8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione (PubChem CID 78203583) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
PubChem CID78203583
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
SMILESCC(C)CN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C10H18N6O2/c1-5(2)4-16-6-7(12-9(16)14-11)15(3)10(18)13-8(6)17/h5-7H,4,11H2,1-3H3,(H,12,14)(H,13,17,18)
InChIKeyAXHHBIIIWTXPOA-UHFFFAOYSA-N
XLogP-1.35
TPSA103.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 59525151
1-tert-butyl-7-methyl-4,5-dihydro-3H-purine-2,6-dione
CID 139494799
1-azido-3-methylbutane;1,3-dimethyl-5,7-dihydro-4H-purine-2,6-dione
CID 164060970
8-methyl-1,3-bis(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 9882161
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 10467447
3-Methyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 11521330
3-Methyl-7-(3-methylbutyl)-8-(2-propan-2-ylidenehydrazinyl)-4,5-dihydropurine-2,6-dione
CID 45022527
2-[8-(Dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 45053504
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-[3-(methylamino)propyl]acetamide
CID 53237794

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione (CID 78203583) is 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione is CC(C)CN1C(NN)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
The InChIKey is AXHHBIIIWTXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-5(2)4-16-6-7(12-9(16)14-11)15(3)10(18)13-8(6)17/h5-7H,4,11H2,1-3H3,(H,12,14)(H,13,17,18).
What are the key properties of 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione?
8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione has a molecular weight of 254.29 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78203583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).