5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine

C9H5BrCl2N2O — CID 66313382

IUPAC5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)c(Br)c(Cl)n2)o1
InChIInChI=1S/C9H5BrCl2N2O/c1-4-2-3-5(15-4)9-13-7(11)6(10)8(12)14-9/h2-3H,1H3
InChIKeyFQXZTRCZGBICPP-UHFFFAOYSA-N
MW307.96 g/mol
LogP4.11
Rot. Bonds1

About 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine

5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine (PubChem CID 66313382) has the molecular formula C9H5BrCl2N2O and a molecular weight of 307.96 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine
PubChem CID66313382
Molecular FormulaC9H5BrCl2N2O
Molecular Weight307.96 g/mol
Exact Mass305.90
IUPAC Name5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine
SMILESCc1ccc(-c2nc(Cl)c(Br)c(Cl)n2)o1
InChIInChI=1S/C9H5BrCl2N2O/c1-4-2-3-5(15-4)9-13-7(11)6(10)8(12)14-9/h2-3H,1H3
InChIKeyFQXZTRCZGBICPP-UHFFFAOYSA-N
XLogP4.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine (CID 66313382) is 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine is Cc1ccc(-c2nc(Cl)c(Br)c(Cl)n2)o1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine?
The InChIKey is FQXZTRCZGBICPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O/c1-4-2-3-5(15-4)9-13-7(11)6(10)8(12)14-9/h2-3H,1H3.
What are the key properties of 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine?
5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine has a molecular weight of 307.96 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(5-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 66313382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).