5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine

C9H10BrClN2O — CID 66293876

IUPAC5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine
SMILESClc1nc(C2CCOCC2)ncc1Br
InChIInChI=1S/C9H10BrClN2O/c10-7-5-12-9(13-8(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyCUFITUSADHBSDW-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.79
Rot. Bonds1

About 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine

5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine (PubChem CID 66293876) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine
PubChem CID66293876
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine
SMILESClc1nc(C2CCOCC2)ncc1Br
InChIInChI=1S/C9H10BrClN2O/c10-7-5-12-9(13-8(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyCUFITUSADHBSDW-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.79
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-(oxan-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine (CID 66293876) is 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine is Clc1nc(C2CCOCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine?
The InChIKey is CUFITUSADHBSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-7-5-12-9(13-8(7)11)6-1-3-14-4-2-6/h5-6H,1-4H2.
What are the key properties of 5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine?
5-bromo-4-chloro-2-(oxan-4-yl)pyrimidine has a molecular weight of 277.55 g/mol, XLogP of 2.79, 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-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 66293876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).