4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C12H19N5O4 — CID 155815788

IUPAC4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2C1NC(=O)N2CC(=O)N1CCOCC1
InChIInChI=1S/C12H19N5O4/c1-14-9-10(15(2)12(14)20)17(11(19)13-9)7-8(18)16-3-5-21-6-4-16/h9-10H,3-7H2,1-2H3,(H,13,19)
InChIKeyUGRUAFASECOBPT-UHFFFAOYSA-N
MW297.32 g/mol
LogP-1.48
Rot. Bonds2

About 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 155815788) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID155815788
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Name4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2C1NC(=O)N2CC(=O)N1CCOCC1
InChIInChI=1S/C12H19N5O4/c1-14-9-10(15(2)12(14)20)17(11(19)13-9)7-8(18)16-3-5-21-6-4-16/h9-10H,3-7H2,1-2H3,(H,13,19)
InChIKeyUGRUAFASECOBPT-UHFFFAOYSA-N
XLogP-1.48
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 155815788) is 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N(C)C2C1NC(=O)N2CC(=O)N1CCOCC1.
What is the InChIKey of 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is UGRUAFASECOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-14-9-10(15(2)12(14)20)17(11(19)13-9)7-8(18)16-3-5-21-6-4-16/h9-10H,3-7H2,1-2H3,(H,13,19).
What are the key properties of 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 297.32 g/mol, XLogP of -1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 155815788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).