1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea

C10H20N4O7 — CID 159974342

IUPAC1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea
SMILESCC1(C)C(=O)N(CO)C(=O)N1CO.O=C(NCO)NCO
InChIInChI=1S/C7H12N2O4.C3H8N2O3/c1-7(2)5(12)8(3-10)6(13)9(7)4-11;6-1-4-3(8)5-2-7/h10-11H,3-4H2,1-2H3;6-7H,1-2H2,(H2,4,5,8)
InChIKeyOEYMRVMEDFEENH-UHFFFAOYSA-N
MW308.29 g/mol
LogP-2.89
Rot. Bonds4

About 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea

1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea (PubChem CID 159974342) has the molecular formula C10H20N4O7 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea
PubChem CID159974342
Molecular FormulaC10H20N4O7
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC Name1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea
SMILESCC1(C)C(=O)N(CO)C(=O)N1CO.O=C(NCO)NCO
InChIInChI=1S/C7H12N2O4.C3H8N2O3/c1-7(2)5(12)8(3-10)6(13)9(7)4-11;6-1-4-3(8)5-2-7/h10-11H,3-4H2,1-2H3;6-7H,1-2H2,(H2,4,5,8)
InChIKeyOEYMRVMEDFEENH-UHFFFAOYSA-N
XLogP-2.89
TPSA162.67 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.29
LogP ≤ 5-2.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea?
The IUPAC name of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea (CID 159974342) is 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea?
The canonical SMILES for 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea is CC1(C)C(=O)N(CO)C(=O)N1CO.O=C(NCO)NCO.
What is the InChIKey of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea?
The InChIKey is OEYMRVMEDFEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4.C3H8N2O3/c1-7(2)5(12)8(3-10)6(13)9(7)4-11;6-1-4-3(8)5-2-7/h10-11H,3-4H2,1-2H3;6-7H,1-2H2,(H2,4,5,8).
What are the key properties of 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea?
1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea has a molecular weight of 308.29 g/mol, XLogP of -2.89, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione;1,3-bis(hydroxymethyl)urea is sourced from PubChem (CID 159974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).