5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine

C15H16ClFN2O — CID 146239728

IUPAC5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
SMILESCCc1nc(C)nc(OC)c1Cc1cccc(F)c1Cl
InChIInChI=1S/C15H16ClFN2O/c1-4-13-11(15(20-3)19-9(2)18-13)8-10-6-5-7-12(17)14(10)16/h5-7H,4,8H2,1-3H3
InChIKeyPYEHKLCXQYCGRE-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.74
Rot. Bonds4

About 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine

5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine (PubChem CID 146239728) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
PubChem CID146239728
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine
SMILESCCc1nc(C)nc(OC)c1Cc1cccc(F)c1Cl
InChIInChI=1S/C15H16ClFN2O/c1-4-13-11(15(20-3)19-9(2)18-13)8-10-6-5-7-12(17)14(10)16/h5-7H,4,8H2,1-3H3
InChIKeyPYEHKLCXQYCGRE-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
The IUPAC name of 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine (CID 146239728) is 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine is CCc1nc(C)nc(OC)c1Cc1cccc(F)c1Cl.
What is the InChIKey of 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
The InChIKey is PYEHKLCXQYCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-4-13-11(15(20-3)19-9(2)18-13)8-10-6-5-7-12(17)14(10)16/h5-7H,4,8H2,1-3H3.
What are the key properties of 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine?
5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine has a molecular weight of 294.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-fluorophenyl)methyl]-4-ethyl-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 146239728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).