4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine

C13H12ClFN2O — CID 55062598

IUPAC4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(Cc2cccc(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-18-8-11-7-12(14)17-13(16-11)6-9-3-2-4-10(15)5-9/h2-5,7H,6,8H2,1H3
InChIKeyYEARTPBVJGLHMD-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.01
Rot. Bonds4

About 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine

4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine (PubChem CID 55062598) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
PubChem CID55062598
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(Cc2cccc(F)c2)n1
InChIInChI=1S/C13H12ClFN2O/c1-18-8-11-7-12(14)17-13(16-11)6-9-3-2-4-10(15)5-9/h2-5,7H,6,8H2,1H3
InChIKeyYEARTPBVJGLHMD-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine (CID 55062598) is 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(Cc2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is YEARTPBVJGLHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-18-8-11-7-12(14)17-13(16-11)6-9-3-2-4-10(15)5-9/h2-5,7H,6,8H2,1H3.
What are the key properties of 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 55062598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).