4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine

C9H9Cl2FN2O — CID 103986077

IUPAC4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine
SMILESFc1c(Cl)nc(CC2CCOC2)nc1Cl
InChIInChI=1S/C9H9Cl2FN2O/c10-8-7(12)9(11)14-6(13-8)3-5-1-2-15-4-5/h5H,1-4H2
InChIKeyHOOIIIVQLJCLCO-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.50
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine (PubChem CID 103986077) has the molecular formula C9H9Cl2FN2O and a molecular weight of 251.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine
PubChem CID103986077
Molecular FormulaC9H9Cl2FN2O
Molecular Weight251.09 g/mol
Exact Mass250.01
IUPAC Name4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine
SMILESFc1c(Cl)nc(CC2CCOC2)nc1Cl
InChIInChI=1S/C9H9Cl2FN2O/c10-8-7(12)9(11)14-6(13-8)3-5-1-2-15-4-5/h5H,1-4H2
InChIKeyHOOIIIVQLJCLCO-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.50
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-(oxolan-3-ylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine (CID 103986077) is 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine is Fc1c(Cl)nc(CC2CCOC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine?
The InChIKey is HOOIIIVQLJCLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN2O/c10-8-7(12)9(11)14-6(13-8)3-5-1-2-15-4-5/h5H,1-4H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(oxolan-3-ylmethyl)pyrimidine has a molecular weight of 251.09 g/mol, XLogP of 2.50, 2 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-(oxolan-3-ylmethyl)pyrimidine is sourced from PubChem (CID 103986077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).