2-chloro-4,6-bis(furan-3-yl)pyrimidine

C12H7ClN2O2 — CID 15141666

IUPAC2-chloro-4,6-bis(furan-3-yl)pyrimidine
SMILESClc1nc(-c2ccoc2)cc(-c2ccoc2)n1
InChIInChI=1S/C12H7ClN2O2/c13-12-14-10(8-1-3-16-6-8)5-11(15-12)9-2-4-17-7-9/h1-7H
InChIKeyGXHDUFGZDGHBBQ-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-4,6-bis(furan-3-yl)pyrimidine

2-chloro-4,6-bis(furan-3-yl)pyrimidine (PubChem CID 15141666) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-chloro-4,6-bis(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-bis(furan-3-yl)pyrimidine
PubChem CID15141666
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name2-chloro-4,6-bis(furan-3-yl)pyrimidine
SMILESClc1nc(-c2ccoc2)cc(-c2ccoc2)n1
InChIInChI=1S/C12H7ClN2O2/c13-12-14-10(8-1-3-16-6-8)5-11(15-12)9-2-4-17-7-9/h1-7H
InChIKeyGXHDUFGZDGHBBQ-UHFFFAOYSA-N
XLogP3.65
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(furan-3-yl)pyrimidine?
The IUPAC name of 2-chloro-4,6-bis(furan-3-yl)pyrimidine (CID 15141666) is 2-chloro-4,6-bis(furan-3-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4,6-bis(furan-3-yl)pyrimidine?
The canonical SMILES for 2-chloro-4,6-bis(furan-3-yl)pyrimidine is Clc1nc(-c2ccoc2)cc(-c2ccoc2)n1.
What is the InChIKey of 2-chloro-4,6-bis(furan-3-yl)pyrimidine?
The InChIKey is GXHDUFGZDGHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-12-14-10(8-1-3-16-6-8)5-11(15-12)9-2-4-17-7-9/h1-7H.
What are the key properties of 2-chloro-4,6-bis(furan-3-yl)pyrimidine?
2-chloro-4,6-bis(furan-3-yl)pyrimidine has a molecular weight of 246.65 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(furan-3-yl)pyrimidine is sourced from PubChem (CID 15141666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).