4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine

C9H9Cl2FN2O — CID 82837510

IUPAC4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine
SMILESCC1CCC(c2nc(Cl)c(F)c(Cl)n2)O1
InChIInChI=1S/C9H9Cl2FN2O/c1-4-2-3-5(15-4)9-13-7(10)6(12)8(11)14-9/h4-5H,2-3H2,1H3
InChIKeyQEAPNBUPHXZCQQ-UHFFFAOYSA-N
MW251.09 g/mol
LogP3.16
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine (PubChem CID 82837510) has the molecular formula C9H9Cl2FN2O and a molecular weight of 251.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine
PubChem CID82837510
Molecular FormulaC9H9Cl2FN2O
Molecular Weight251.09 g/mol
Exact Mass250.01
IUPAC Name4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine
SMILESCC1CCC(c2nc(Cl)c(F)c(Cl)n2)O1
InChIInChI=1S/C9H9Cl2FN2O/c1-4-2-3-5(15-4)9-13-7(10)6(12)8(11)14-9/h4-5H,2-3H2,1H3
InChIKeyQEAPNBUPHXZCQQ-UHFFFAOYSA-N
XLogP3.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine (CID 82837510) is 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine is CC1CCC(c2nc(Cl)c(F)c(Cl)n2)O1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine?
The InChIKey is QEAPNBUPHXZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2O/c1-4-2-3-5(15-4)9-13-7(10)6(12)8(11)14-9/h4-5H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine has a molecular weight of 251.09 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(5-methyloxolan-2-yl)pyrimidine is sourced from PubChem (CID 82837510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).