5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione

C8H11BrN2O4 — CID 91619204

IUPAC5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1cc(Br)c(=O)n(COC)c1=O
InChIInChI=1S/C8H11BrN2O4/c1-14-4-10-3-6(9)7(12)11(5-15-2)8(10)13/h3H,4-5H2,1-2H3
InChIKeySBCSZDSGBZENIN-UHFFFAOYSA-N
MW279.09 g/mol
LogP-0.02
Rot. Bonds4

About 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione

5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione (PubChem CID 91619204) has the molecular formula C8H11BrN2O4 and a molecular weight of 279.09 g/mol. Its IUPAC name is 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
PubChem CID91619204
Molecular FormulaC8H11BrN2O4
Molecular Weight279.09 g/mol
Exact Mass277.99
IUPAC Name5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1cc(Br)c(=O)n(COC)c1=O
InChIInChI=1S/C8H11BrN2O4/c1-14-4-10-3-6(9)7(12)11(5-15-2)8(10)13/h3H,4-5H2,1-2H3
InChIKeySBCSZDSGBZENIN-UHFFFAOYSA-N
XLogP-0.02
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione (CID 91619204) is 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione is COCn1cc(Br)c(=O)n(COC)c1=O.
What is the InChIKey of 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The InChIKey is SBCSZDSGBZENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O4/c1-14-4-10-3-6(9)7(12)11(5-15-2)8(10)13/h3H,4-5H2,1-2H3.
What are the key properties of 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione has a molecular weight of 279.09 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-bis(methoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 91619204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).