6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione

C10H13BrN2O4 — CID 101200163

IUPAC6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1c(/C=C/Br)cc(=O)n(COC)c1=O
InChIInChI=1S/C10H13BrN2O4/c1-16-6-12-8(3-4-11)5-9(14)13(7-17-2)10(12)15/h3-5H,6-7H2,1-2H3/b4-3+
InChIKeyLERWMGZUDCEOIN-ONEGZZNKSA-N
MW305.13 g/mol
LogP0.58
Rot. Bonds5

About 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione

6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione (PubChem CID 101200163) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
PubChem CID101200163
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Name6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1c(/C=C/Br)cc(=O)n(COC)c1=O
InChIInChI=1S/C10H13BrN2O4/c1-16-6-12-8(3-4-11)5-9(14)13(7-17-2)10(12)15/h3-5H,6-7H2,1-2H3/b4-3+
InChIKeyLERWMGZUDCEOIN-ONEGZZNKSA-N
XLogP0.58
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione (CID 101200163) is 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione is COCn1c(/C=C/Br)cc(=O)n(COC)c1=O.
What is the InChIKey of 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The InChIKey is LERWMGZUDCEOIN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c1-16-6-12-8(3-4-11)5-9(14)13(7-17-2)10(12)15/h3-5H,6-7H2,1-2H3/b4-3+.
What are the key properties of 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione has a molecular weight of 305.13 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-bromoethenyl]-1,3-bis(methoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 101200163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).