5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine

C8H8BrClN2O — CID 66293466

IUPAC5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine
SMILESClc1nc(C2CCOC2)ncc1Br
InChIInChI=1S/C8H8BrClN2O/c9-6-3-11-8(12-7(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyLWTUUAWBKLWQPZ-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.40
Rot. Bonds1

About 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine

5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine (PubChem CID 66293466) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine
PubChem CID66293466
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine
SMILESClc1nc(C2CCOC2)ncc1Br
InChIInChI=1S/C8H8BrClN2O/c9-6-3-11-8(12-7(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyLWTUUAWBKLWQPZ-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine (CID 66293466) is 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine is Clc1nc(C2CCOC2)ncc1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine?
The InChIKey is LWTUUAWBKLWQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-6-3-11-8(12-7(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2.
What are the key properties of 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine?
5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine has a molecular weight of 263.52 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(oxolan-3-yl)pyrimidine is sourced from PubChem (CID 66293466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).