4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine

C13H11Cl2FN2O — CID 113401165

IUPAC4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
SMILESCCOCc1nc(Cl)cc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-2-19-7-13-17-11(6-12(15)18-13)9-4-3-8(16)5-10(9)14/h3-6H,2,7H2,1H3
InChIKeyDEIBOQLDHLMFNE-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.13
Rot. Bonds4

About 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine

4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine (PubChem CID 113401165) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
PubChem CID113401165
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
SMILESCCOCc1nc(Cl)cc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-2-19-7-13-17-11(6-12(15)18-13)9-4-3-8(16)5-10(9)14/h3-6H,2,7H2,1H3
InChIKeyDEIBOQLDHLMFNE-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4-fluorophenyl)-3-(ethoxymethyl)-1-methyl-1,2,4-triazole
CID 72864286
4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine
CID 106943650
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
CID 116545984
5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784291
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
4-(2-chloro-4-fluorophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025470
2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine
CID 113447341
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 115917522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine (CID 113401165) is 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine is CCOCc1nc(Cl)cc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine?
The InChIKey is DEIBOQLDHLMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-2-19-7-13-17-11(6-12(15)18-13)9-4-3-8(16)5-10(9)14/h3-6H,2,7H2,1H3.
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine?
4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine has a molecular weight of 301.15 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine is sourced from PubChem (CID 113401165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).