2-chloro-5-fluoro-4-propoxypyrimidine

C7H8ClFN2O — CID 79081616

IUPAC2-chloro-5-fluoro-4-propoxypyrimidine
SMILESCCCOc1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2O/c1-2-3-12-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeyPWAPTAIPASIAHK-UHFFFAOYSA-N
MW190.61 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-5-fluoro-4-propoxypyrimidine

2-chloro-5-fluoro-4-propoxypyrimidine (PubChem CID 79081616) has the molecular formula C7H8ClFN2O and a molecular weight of 190.61 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-propoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-propoxypyrimidine
PubChem CID79081616
Molecular FormulaC7H8ClFN2O
Molecular Weight190.61 g/mol
Exact Mass190.03
IUPAC Name2-chloro-5-fluoro-4-propoxypyrimidine
SMILESCCCOc1nc(Cl)ncc1F
InChIInChI=1S/C7H8ClFN2O/c1-2-3-12-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeyPWAPTAIPASIAHK-UHFFFAOYSA-N
XLogP2.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-propoxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-propoxypyrimidine (CID 79081616) is 2-chloro-5-fluoro-4-propoxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-propoxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-propoxypyrimidine is CCCOc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-propoxypyrimidine?
The InChIKey is PWAPTAIPASIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-2-3-12-6-5(9)4-10-7(8)11-6/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-propoxypyrimidine?
2-chloro-5-fluoro-4-propoxypyrimidine has a molecular weight of 190.61 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-propoxypyrimidine is sourced from PubChem (CID 79081616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).