2-chloro-5-fluoro-4,6-dimethoxypyrimidine

C6H6ClFN2O2 — CID 58252374

IUPAC2-chloro-5-fluoro-4,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C6H6ClFN2O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h1-2H3
InChIKeyLSPBNYKEPNIXFR-UHFFFAOYSA-N
MW192.58 g/mol
LogP1.29
Rot. Bonds2

About 2-chloro-5-fluoro-4,6-dimethoxypyrimidine

2-chloro-5-fluoro-4,6-dimethoxypyrimidine (PubChem CID 58252374) has the molecular formula C6H6ClFN2O2 and a molecular weight of 192.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4,6-dimethoxypyrimidine
PubChem CID58252374
Molecular FormulaC6H6ClFN2O2
Molecular Weight192.58 g/mol
Exact Mass192.01
IUPAC Name2-chloro-5-fluoro-4,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C6H6ClFN2O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h1-2H3
InChIKeyLSPBNYKEPNIXFR-UHFFFAOYSA-N
XLogP1.29
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4,6-dimethoxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4,6-dimethoxypyrimidine (CID 58252374) is 2-chloro-5-fluoro-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4,6-dimethoxypyrimidine is COc1nc(Cl)nc(OC)c1F.
What is the InChIKey of 2-chloro-5-fluoro-4,6-dimethoxypyrimidine?
The InChIKey is LSPBNYKEPNIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h1-2H3.
What are the key properties of 2-chloro-5-fluoro-4,6-dimethoxypyrimidine?
2-chloro-5-fluoro-4,6-dimethoxypyrimidine has a molecular weight of 192.58 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4,6-dimethoxypyrimidine is sourced from PubChem (CID 58252374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).