4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine

C14H12Cl3FN2 — CID 63611333

IUPAC4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cc2ccc(F)cc2Cl)nc1Cl
InChIInChI=1S/C14H12Cl3FN2/c1-7(2)12-13(16)19-11(20-14(12)17)5-8-3-4-9(18)6-10(8)15/h3-4,6-7H,5H2,1-2H3
InChIKeyPEYCGEKIYDFJFW-UHFFFAOYSA-N
MW333.62 g/mol
LogP5.29
Rot. Bonds3

About 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine

4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine (PubChem CID 63611333) has the molecular formula C14H12Cl3FN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine
PubChem CID63611333
Molecular FormulaC14H12Cl3FN2
Molecular Weight333.62 g/mol
Exact Mass332.01
IUPAC Name4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cc2ccc(F)cc2Cl)nc1Cl
InChIInChI=1S/C14H12Cl3FN2/c1-7(2)12-13(16)19-11(20-14(12)17)5-8-3-4-9(18)6-10(8)15/h3-4,6-7H,5H2,1-2H3
InChIKeyPEYCGEKIYDFJFW-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.62
LogP ≤ 55.29
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-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine (CID 63611333) is 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(Cc2ccc(F)cc2Cl)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
The InChIKey is PEYCGEKIYDFJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3FN2/c1-7(2)12-13(16)19-11(20-14(12)17)5-8-3-4-9(18)6-10(8)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine?
4,6-dichloro-2-[(2-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine has a molecular weight of 333.62 g/mol, XLogP of 5.29, 3 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-chloro-4-fluorophenyl)methyl]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).