4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine

C17H21FN2O2 — CID 95922934

IUPAC4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine
SMILESCOc1ccc(COc2nc(C(C)C)nc(C)c2C)cc1F
InChIInChI=1S/C17H21FN2O2/c1-10(2)16-19-12(4)11(3)17(20-16)22-9-13-6-7-15(21-5)14(18)8-13/h6-8,10H,9H2,1-5H3
InChIKeyLQNLIGYQKGPSJL-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.94
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine

4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine (PubChem CID 95922934) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine
PubChem CID95922934
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine
SMILESCOc1ccc(COc2nc(C(C)C)nc(C)c2C)cc1F
InChIInChI=1S/C17H21FN2O2/c1-10(2)16-19-12(4)11(3)17(20-16)22-9-13-6-7-15(21-5)14(18)8-13/h6-8,10H,9H2,1-5H3
InChIKeyLQNLIGYQKGPSJL-UHFFFAOYSA-N
XLogP3.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine (CID 95922934) is 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine is COc1ccc(COc2nc(C(C)C)nc(C)c2C)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine?
The InChIKey is LQNLIGYQKGPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-10(2)16-19-12(4)11(3)17(20-16)22-9-13-6-7-15(21-5)14(18)8-13/h6-8,10H,9H2,1-5H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine?
4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine has a molecular weight of 304.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-5,6-dimethyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 95922934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).