2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine

C13H13FN2O3 — CID 56702987

IUPAC2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine
SMILESCOc1ccc(F)c(-c2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C13H13FN2O3/c1-17-8-4-5-10(14)9(6-8)13-15-11(18-2)7-12(16-13)19-3/h4-7H,1-3H3
InChIKeyMWXYASPHPZWEFI-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.31
Rot. Bonds4

About 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine

2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine (PubChem CID 56702987) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine
PubChem CID56702987
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine
SMILESCOc1ccc(F)c(-c2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C13H13FN2O3/c1-17-8-4-5-10(14)9(6-8)13-15-11(18-2)7-12(16-13)19-3/h4-7H,1-3H3
InChIKeyMWXYASPHPZWEFI-UHFFFAOYSA-N
XLogP2.31
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine (CID 56702987) is 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine is COc1ccc(F)c(-c2nc(OC)cc(OC)n2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine?
The InChIKey is MWXYASPHPZWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-17-8-4-5-10(14)9(6-8)13-15-11(18-2)7-12(16-13)19-3/h4-7H,1-3H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine?
2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine has a molecular weight of 264.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 56702987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).