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

C12H10ClFN2O — CID 55062550

IUPAC4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10ClFN2O/c1-17-7-10-6-11(13)16-12(15-10)8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
InChIKeyRDHUVXHPFPWGQT-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.08
Rot. Bonds3

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

4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 55062550) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine
PubChem CID55062550
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H10ClFN2O/c1-17-7-10-6-11(13)16-12(15-10)8-2-4-9(14)5-3-8/h2-6H,7H2,1H3
InChIKeyRDHUVXHPFPWGQT-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine (CID 55062550) is 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is RDHUVXHPFPWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-17-7-10-6-11(13)16-12(15-10)8-2-4-9(14)5-3-8/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 55062550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).