4-chloro-6-(oxan-4-yloxy)pyrimidine

C9H11ClN2O2 — CID 61286565

IUPAC4-chloro-6-(oxan-4-yloxy)pyrimidine
SMILESClc1cc(OC2CCOCC2)ncn1
InChIInChI=1S/C9H11ClN2O2/c10-8-5-9(12-6-11-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2
InChIKeyJBBCTAXBMXZBPK-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.69
Rot. Bonds2

About 4-chloro-6-(oxan-4-yloxy)pyrimidine

4-chloro-6-(oxan-4-yloxy)pyrimidine (PubChem CID 61286565) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-chloro-6-(oxan-4-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(oxan-4-yloxy)pyrimidine
PubChem CID61286565
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-chloro-6-(oxan-4-yloxy)pyrimidine
SMILESClc1cc(OC2CCOCC2)ncn1
InChIInChI=1S/C9H11ClN2O2/c10-8-5-9(12-6-11-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2
InChIKeyJBBCTAXBMXZBPK-UHFFFAOYSA-N
XLogP1.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxan-4-yloxy)pyrimidine?
The IUPAC name of 4-chloro-6-(oxan-4-yloxy)pyrimidine (CID 61286565) is 4-chloro-6-(oxan-4-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(oxan-4-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(oxan-4-yloxy)pyrimidine is Clc1cc(OC2CCOCC2)ncn1.
What is the InChIKey of 4-chloro-6-(oxan-4-yloxy)pyrimidine?
The InChIKey is JBBCTAXBMXZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-5-9(12-6-11-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2.
What are the key properties of 4-chloro-6-(oxan-4-yloxy)pyrimidine?
4-chloro-6-(oxan-4-yloxy)pyrimidine has a molecular weight of 214.65 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxan-4-yloxy)pyrimidine is sourced from PubChem (CID 61286565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).