4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine

C13H11Cl2FN2O — CID 55142641

IUPAC4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-19-7-10-6-12(15)18-13(17-10)4-8-2-3-9(16)5-11(8)14/h2-3,5-6H,4,7H2,1H3
InChIKeyCKGOEZXRCSNZON-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.66
Rot. Bonds4

About 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine

4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine (PubChem CID 55142641) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
PubChem CID55142641
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-19-7-10-6-12(15)18-13(17-10)4-8-2-3-9(16)5-11(8)14/h2-3,5-6H,4,7H2,1H3
InChIKeyCKGOEZXRCSNZON-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine (CID 55142641) is 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is CKGOEZXRCSNZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-19-7-10-6-12(15)18-13(17-10)4-8-2-3-9(16)5-11(8)14/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 301.15 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 55142641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).