4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine

C13H12ClFN2O — CID 65096680

IUPAC4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCCc1cc(Cl)nc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-3-9-7-12(14)17-13(16-9)8-4-5-11(18-2)10(15)6-8/h4-7H,3H2,1-2H3
InChIKeyUDONXLYYPCDQHH-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine

4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine (PubChem CID 65096680) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
PubChem CID65096680
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCCc1cc(Cl)nc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-3-9-7-12(14)17-13(16-9)8-4-5-11(18-2)10(15)6-8/h4-7H,3H2,1-2H3
InChIKeyUDONXLYYPCDQHH-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096408
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine (CID 65096680) is 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine is CCc1cc(Cl)nc(-c2ccc(OC)c(F)c2)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The InChIKey is UDONXLYYPCDQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-9-7-12(14)17-13(16-9)8-4-5-11(18-2)10(15)6-8/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine?
4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 65096680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).