6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione

C10H12Br2N2O4 — CID 101200160

IUPAC6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1c(C=C(Br)Br)cc(=O)n(COC)c1=O
InChIInChI=1S/C10H12Br2N2O4/c1-17-5-13-7(3-8(11)12)4-9(15)14(6-18-2)10(13)16/h3-4H,5-6H2,1-2H3
InChIKeyNZPUJWVCTAFLPH-UHFFFAOYSA-N
MW384.02 g/mol
LogP1.31
Rot. Bonds5

About 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione

6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione (PubChem CID 101200160) has the molecular formula C10H12Br2N2O4 and a molecular weight of 384.02 g/mol. Its IUPAC name is 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
PubChem CID101200160
Molecular FormulaC10H12Br2N2O4
Molecular Weight384.02 g/mol
Exact Mass381.92
IUPAC Name6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1c(C=C(Br)Br)cc(=O)n(COC)c1=O
InChIInChI=1S/C10H12Br2N2O4/c1-17-5-13-7(3-8(11)12)4-9(15)14(6-18-2)10(13)16/h3-4H,5-6H2,1-2H3
InChIKeyNZPUJWVCTAFLPH-UHFFFAOYSA-N
XLogP1.31
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.02
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione (CID 101200160) is 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione is COCn1c(C=C(Br)Br)cc(=O)n(COC)c1=O.
What is the InChIKey of 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
The InChIKey is NZPUJWVCTAFLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O4/c1-17-5-13-7(3-8(11)12)4-9(15)14(6-18-2)10(13)16/h3-4H,5-6H2,1-2H3.
What are the key properties of 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione?
6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione has a molecular weight of 384.02 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dibromoethenyl)-1,3-bis(methoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 101200160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).