4-fluoro-6-(2-methylpentoxy)pyrimidine

C10H15FN2O — CID 103283666

IUPAC4-fluoro-6-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1cc(F)ncn1
InChIInChI=1S/C10H15FN2O/c1-3-4-8(2)6-14-10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyWXKGZKAJJCDLLC-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.43
Rot. Bonds5

About 4-fluoro-6-(2-methylpentoxy)pyrimidine

4-fluoro-6-(2-methylpentoxy)pyrimidine (PubChem CID 103283666) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-methylpentoxy)pyrimidine
PubChem CID103283666
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-fluoro-6-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1cc(F)ncn1
InChIInChI=1S/C10H15FN2O/c1-3-4-8(2)6-14-10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyWXKGZKAJJCDLLC-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylpentoxy)pyrimidine?
The IUPAC name of 4-fluoro-6-(2-methylpentoxy)pyrimidine (CID 103283666) is 4-fluoro-6-(2-methylpentoxy)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-methylpentoxy)pyrimidine?
The canonical SMILES for 4-fluoro-6-(2-methylpentoxy)pyrimidine is CCCC(C)COc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-methylpentoxy)pyrimidine?
The InChIKey is WXKGZKAJJCDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-3-4-8(2)6-14-10-5-9(11)12-7-13-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-fluoro-6-(2-methylpentoxy)pyrimidine?
4-fluoro-6-(2-methylpentoxy)pyrimidine has a molecular weight of 198.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylpentoxy)pyrimidine is sourced from PubChem (CID 103283666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).