4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine

C7H7Cl2FN2O — CID 80550479

IUPAC4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2O/c1-13-3-2-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3
InChIKeyDJZVBZJVIDZQOB-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.11
Rot. Bonds3

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

4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine (PubChem CID 80550479) has the molecular formula C7H7Cl2FN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine
PubChem CID80550479
Molecular FormulaC7H7Cl2FN2O
Molecular Weight225.05 g/mol
Exact Mass223.99
IUPAC Name4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2O/c1-13-3-2-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3
InChIKeyDJZVBZJVIDZQOB-UHFFFAOYSA-N
XLogP2.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.11
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-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine (CID 80550479) is 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine is COCCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine?
The InChIKey is DJZVBZJVIDZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2O/c1-13-3-2-4-11-6(8)5(10)7(9)12-4/h2-3H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(2-methoxyethyl)pyrimidine has a molecular weight of 225.05 g/mol, XLogP of 2.11, 3 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-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 80550479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).