4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C6H10N4O2 — CID 535784

IUPAC4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2NC(=O)NC21
InChIInChI=1S/C6H10N4O2/c1-9-3-4(8-5(11)7-3)10(2)6(9)12/h3-4H,1-2H3,(H2,7,8,11)
InChIKeyNVMPHBRFTZFQPS-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.05
Rot. Bonds

About 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 535784) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID535784
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2NC(=O)NC21
InChIInChI=1S/C6H10N4O2/c1-9-3-4(8-5(11)7-3)10(2)6(9)12/h3-4H,1-2H3,(H2,7,8,11)
InChIKeyNVMPHBRFTZFQPS-UHFFFAOYSA-N
XLogP-1.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 535784) is 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N(C)C2NC(=O)NC21.
What is the InChIKey of 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is NVMPHBRFTZFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-9-3-4(8-5(11)7-3)10(2)6(9)12/h3-4H,1-2H3,(H2,7,8,11).
What are the key properties of 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 170.17 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 535784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).