1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione

C9H14N2O4 — CID 712760

IUPAC1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione
SMILESCOC(Cn1cc(C)c(=O)[nH]c1=O)OC
InChIInChI=1S/C9H14N2O4/c1-6-4-11(5-7(14-2)15-3)9(13)10-8(6)12/h4,7H,5H2,1-3H3,(H,10,12,13)
InChIKeyUXPILKKRQRFDSF-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.54
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione

1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 712760) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione
PubChem CID712760
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione
SMILESCOC(Cn1cc(C)c(=O)[nH]c1=O)OC
InChIInChI=1S/C9H14N2O4/c1-6-4-11(5-7(14-2)15-3)9(13)10-8(6)12/h4,7H,5H2,1-3H3,(H,10,12,13)
InChIKeyUXPILKKRQRFDSF-UHFFFAOYSA-N
XLogP-0.54
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione (CID 712760) is 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione is COC(Cn1cc(C)c(=O)[nH]c1=O)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is UXPILKKRQRFDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6-4-11(5-7(14-2)15-3)9(13)10-8(6)12/h4,7H,5H2,1-3H3,(H,10,12,13).
What are the key properties of 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione?
1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 712760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).