ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate

C16H17FN2O4 — CID 67032356

IUPACethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cc2ccc(F)cc2)nc(OC)nc1OC
InChIInChI=1S/C16H17FN2O4/c1-4-23-15(20)13-12(9-10-5-7-11(17)8-6-10)18-16(22-3)19-14(13)21-2/h5-8H,4,9H2,1-3H3
InChIKeyAEUHCZQZGGXFTO-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.40
Rot. Bonds6

About ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate

ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate (PubChem CID 67032356) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate
PubChem CID67032356
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Nameethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cc2ccc(F)cc2)nc(OC)nc1OC
InChIInChI=1S/C16H17FN2O4/c1-4-23-15(20)13-12(9-10-5-7-11(17)8-6-10)18-16(22-3)19-14(13)21-2/h5-8H,4,9H2,1-3H3
InChIKeyAEUHCZQZGGXFTO-UHFFFAOYSA-N
XLogP2.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate (CID 67032356) is ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate is CCOC(=O)c1c(Cc2ccc(F)cc2)nc(OC)nc1OC.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate?
The InChIKey is AEUHCZQZGGXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-4-23-15(20)13-12(9-10-5-7-11(17)8-6-10)18-16(22-3)19-14(13)21-2/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate?
ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate has a molecular weight of 320.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorophenyl)methyl]-2,6-dimethoxypyrimidine-5-carboxylate is sourced from PubChem (CID 67032356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).