4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine

C15H15FN2O — CID 177181119

IUPAC4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ccc(F)c(C)c1
InChIInChI=1S/C15H15FN2O/c1-9-7-11(5-6-12(9)16)13-14(10-3-4-10)17-8-18-15(13)19-2/h5-8,10H,3-4H2,1-2H3
InChIKeyWMCDZICUWAMFLE-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.48
Rot. Bonds3

About 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine

4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine (PubChem CID 177181119) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine
PubChem CID177181119
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine
SMILESCOc1ncnc(C2CC2)c1-c1ccc(F)c(C)c1
InChIInChI=1S/C15H15FN2O/c1-9-7-11(5-6-12(9)16)13-14(10-3-4-10)17-8-18-15(13)19-2/h5-8,10H,3-4H2,1-2H3
InChIKeyWMCDZICUWAMFLE-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine?
The IUPAC name of 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine (CID 177181119) is 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine?
The canonical SMILES for 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine is COc1ncnc(C2CC2)c1-c1ccc(F)c(C)c1.
What is the InChIKey of 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine?
The InChIKey is WMCDZICUWAMFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-7-11(5-6-12(9)16)13-14(10-3-4-10)17-8-18-15(13)19-2/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine?
4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine has a molecular weight of 258.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(4-fluoro-3-methylphenyl)-6-methoxypyrimidine is sourced from PubChem (CID 177181119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).