4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine

C12H9Cl2FN2 — CID 55217793

IUPAC4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cc2ccccc2F)nc1Cl
InChIInChI=1S/C12H9Cl2FN2/c1-7-11(13)16-10(17-12(7)14)6-8-4-2-3-5-9(8)15/h2-5H,6H2,1H3
InChIKeyHEVUHBAVIJZBRN-UHFFFAOYSA-N
MW271.12 g/mol
LogP3.82
Rot. Bonds2

About 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine

4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine (PubChem CID 55217793) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine
PubChem CID55217793
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cc2ccccc2F)nc1Cl
InChIInChI=1S/C12H9Cl2FN2/c1-7-11(13)16-10(17-12(7)14)6-8-4-2-3-5-9(8)15/h2-5H,6H2,1H3
InChIKeyHEVUHBAVIJZBRN-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine (CID 55217793) is 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine is Cc1c(Cl)nc(Cc2ccccc2F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine?
The InChIKey is HEVUHBAVIJZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c1-7-11(13)16-10(17-12(7)14)6-8-4-2-3-5-9(8)15/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine?
4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine has a molecular weight of 271.12 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2-fluorophenyl)methyl]-5-methylpyrimidine is sourced from PubChem (CID 55217793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).