4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine

C12H10ClFN2O2 — CID 23730814

IUPAC4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)c(-c2ccc(F)cc2)c(OC)n1
InChIInChI=1S/C12H10ClFN2O2/c1-17-11-9(7-3-5-8(14)6-4-7)10(13)15-12(16-11)18-2/h3-6H,1-2H3
InChIKeyJDNRKYFLSQDGFZ-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.95
Rot. Bonds3

About 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine

4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine (PubChem CID 23730814) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine
PubChem CID23730814
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)c(-c2ccc(F)cc2)c(OC)n1
InChIInChI=1S/C12H10ClFN2O2/c1-17-11-9(7-3-5-8(14)6-4-7)10(13)15-12(16-11)18-2/h3-6H,1-2H3
InChIKeyJDNRKYFLSQDGFZ-UHFFFAOYSA-N
XLogP2.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine (CID 23730814) is 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine is COc1nc(Cl)c(-c2ccc(F)cc2)c(OC)n1.
What is the InChIKey of 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine?
The InChIKey is JDNRKYFLSQDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-17-11-9(7-3-5-8(14)6-4-7)10(13)15-12(16-11)18-2/h3-6H,1-2H3.
What are the key properties of 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine?
4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine has a molecular weight of 268.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluorophenyl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 23730814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).