1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione

C10H6Br2N2O3S — CID 62025207

IUPAC1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H6Br2N2O3S/c11-7-3-5(9(12)18-7)6(15)4-14-2-1-8(16)13-10(14)17/h1-3H,4H2,(H,13,16,17)
InChIKeyHRHVKLWNQIOTEG-UHFFFAOYSA-N
MW394.04 g/mol
LogP2.01
Rot. Bonds3

About 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62025207) has the molecular formula C10H6Br2N2O3S and a molecular weight of 394.04 g/mol. Its IUPAC name is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62025207
Molecular FormulaC10H6Br2N2O3S
Molecular Weight394.04 g/mol
Exact Mass391.85
IUPAC Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H6Br2N2O3S/c11-7-3-5(9(12)18-7)6(15)4-14-2-1-8(16)13-10(14)17/h1-3H,4H2,(H,13,16,17)
InChIKeyHRHVKLWNQIOTEG-UHFFFAOYSA-N
XLogP2.01
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.04
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 62025207) is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is HRHVKLWNQIOTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O3S/c11-7-3-5(9(12)18-7)6(15)4-14-2-1-8(16)13-10(14)17/h1-3H,4H2,(H,13,16,17).
What are the key properties of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 394.04 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62025207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).