2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine

C10H14ClFN2O — CID 79080952

IUPAC2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine
SMILESCC(C)CCCOc1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN2O/c1-7(2)4-3-5-15-9-8(12)6-13-10(11)14-9/h6-7H,3-5H2,1-2H3
InChIKeyOAHUZNVWVWPRAM-UHFFFAOYSA-N
MW232.69 g/mol
LogP3.08
Rot. Bonds5

About 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine

2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine (PubChem CID 79080952) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine
PubChem CID79080952
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine
SMILESCC(C)CCCOc1nc(Cl)ncc1F
InChIInChI=1S/C10H14ClFN2O/c1-7(2)4-3-5-15-9-8(12)6-13-10(11)14-9/h6-7H,3-5H2,1-2H3
InChIKeyOAHUZNVWVWPRAM-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 53.08
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 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine (CID 79080952) is 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine is CC(C)CCCOc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine?
The InChIKey is OAHUZNVWVWPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-7(2)4-3-5-15-9-8(12)6-13-10(11)14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine?
2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine has a molecular weight of 232.69 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine is sourced from PubChem (CID 79080952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).