1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione

C9H6BrClN2O3 — CID 66426182

IUPAC1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Br)o2)cc1Cl
InChIInChI=1S/C9H6BrClN2O3/c10-7-2-1-5(16-7)3-13-4-6(11)8(14)12-9(13)15/h1-2,4H,3H2,(H,12,14,15)
InChIKeyJHLOJKQXGNJYEE-UHFFFAOYSA-N
MW305.52 g/mol
LogP1.59
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione

1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione (PubChem CID 66426182) has the molecular formula C9H6BrClN2O3 and a molecular weight of 305.52 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione
PubChem CID66426182
Molecular FormulaC9H6BrClN2O3
Molecular Weight305.52 g/mol
Exact Mass303.93
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Br)o2)cc1Cl
InChIInChI=1S/C9H6BrClN2O3/c10-7-2-1-5(16-7)3-13-4-6(11)8(14)12-9(13)15/h1-2,4H,3H2,(H,12,14,15)
InChIKeyJHLOJKQXGNJYEE-UHFFFAOYSA-N
XLogP1.59
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione (CID 66426182) is 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Br)o2)cc1Cl.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione?
The InChIKey is JHLOJKQXGNJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O3/c10-7-2-1-5(16-7)3-13-4-6(11)8(14)12-9(13)15/h1-2,4H,3H2,(H,12,14,15).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione?
1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione has a molecular weight of 305.52 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-5-chloropyrimidine-2,4-dione is sourced from PubChem (CID 66426182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).