2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine

C8H8Cl2N2O2 — CID 87773888

IUPAC2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine
SMILESClc1cc(OC2CCOC2)nc(Cl)n1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyXOXRWGJQJJXHSL-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.95
Rot. Bonds2

About 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine

2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine (PubChem CID 87773888) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine
PubChem CID87773888
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine
SMILESClc1cc(OC2CCOC2)nc(Cl)n1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyXOXRWGJQJJXHSL-UHFFFAOYSA-N
XLogP1.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine (CID 87773888) is 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine is Clc1cc(OC2CCOC2)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine?
The InChIKey is XOXRWGJQJJXHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2.
What are the key properties of 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine?
2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine has a molecular weight of 235.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine is sourced from PubChem (CID 87773888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).