5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione

C7H10N2O4 — CID 2783836

IUPAC5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOC(OC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O4/c1-12-6(13-2)4-3-8-7(11)9-5(4)10/h3,6H,1-2H3,(H2,8,9,10,11)
InChIKeyLNJCHLMTMLCTDS-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.65
Rot. Bonds3

About 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione

5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 2783836) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID2783836
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOC(OC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O4/c1-12-6(13-2)4-3-8-7(11)9-5(4)10/h3,6H,1-2H3,(H2,8,9,10,11)
InChIKeyLNJCHLMTMLCTDS-UHFFFAOYSA-N
XLogP-0.65
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione (CID 2783836) is 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione is COC(OC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LNJCHLMTMLCTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-12-6(13-2)4-3-8-7(11)9-5(4)10/h3,6H,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione?
5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 186.17 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2783836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).