5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine

C13H12ClFN2O2 — CID 167474422

IUPAC5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(-c2ccc(F)cc2Cl)c(OC)n1
InChIInChI=1S/C13H12ClFN2O2/c1-7-11(9-5-4-8(15)6-10(9)14)12(18-2)17-13(16-7)19-3/h4-6H,1-3H3
InChIKeyIMDONPGFYMPSRC-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.26
Rot. Bonds3

About 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine

5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine (PubChem CID 167474422) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine
PubChem CID167474422
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(-c2ccc(F)cc2Cl)c(OC)n1
InChIInChI=1S/C13H12ClFN2O2/c1-7-11(9-5-4-8(15)6-10(9)14)12(18-2)17-13(16-7)19-3/h4-6H,1-3H3
InChIKeyIMDONPGFYMPSRC-UHFFFAOYSA-N
XLogP3.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine (CID 167474422) is 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine is COc1nc(C)c(-c2ccc(F)cc2Cl)c(OC)n1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine?
The InChIKey is IMDONPGFYMPSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-7-11(9-5-4-8(15)6-10(9)14)12(18-2)17-13(16-7)19-3/h4-6H,1-3H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine?
5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine has a molecular weight of 282.70 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-2,4-dimethoxy-6-methylpyrimidine is sourced from PubChem (CID 167474422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).