5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine

C10H15FN2O — CID 142359239

IUPAC5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine
SMILESCOCCCC(C)c1ncc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-8(4-3-5-14-2)10-12-6-9(11)7-13-10/h6-8H,3-5H2,1-2H3
InChIKeyNFLJIUJBVYNHLF-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.15
Rot. Bonds5

About 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine

5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine (PubChem CID 142359239) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine
PubChem CID142359239
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine
SMILESCOCCCC(C)c1ncc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-8(4-3-5-14-2)10-12-6-9(11)7-13-10/h6-8H,3-5H2,1-2H3
InChIKeyNFLJIUJBVYNHLF-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine (CID 142359239) is 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine is COCCCC(C)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine?
The InChIKey is NFLJIUJBVYNHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8(4-3-5-14-2)10-12-6-9(11)7-13-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine?
5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine has a molecular weight of 198.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-methoxypentan-2-yl)pyrimidine is sourced from PubChem (CID 142359239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).