4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine

C13H12ClFN2O — CID 115505187

IUPAC4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine
SMILESCCc1c(Cl)ncnc1-c1ccc(OC)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-3-9-12(16-7-17-13(9)14)10-5-4-8(18-2)6-11(10)15/h4-7H,3H2,1-2H3
InChIKeyNVASPSLIVFHFNX-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine

4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine (PubChem CID 115505187) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine
PubChem CID115505187
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine
SMILESCCc1c(Cl)ncnc1-c1ccc(OC)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-3-9-12(16-7-17-13(9)14)10-5-4-8(18-2)6-11(10)15/h4-7H,3H2,1-2H3
InChIKeyNVASPSLIVFHFNX-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

4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502928
6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115505231
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
N-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 115505212
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
5-ethyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 19101283
2-chloro-5-(2-fluoro-4-methoxyphenyl)phenol
CID 53221331
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
4-(3-bromo-2,6-difluorophenyl)-6-chloro-5-ethylpyrimidine
CID 106943648
3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
CID 102753823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine (CID 115505187) is 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine is CCc1c(Cl)ncnc1-c1ccc(OC)cc1F.
What is the InChIKey of 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine?
The InChIKey is NVASPSLIVFHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-9-12(16-7-17-13(9)14)10-5-4-8(18-2)6-11(10)15/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine?
4-chloro-5-ethyl-6-(2-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-5-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 115505187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).