5-decoxy-2-(4-fluorophenyl)pyrimidine

C20H27FN2O — CID 19006660

IUPAC5-decoxy-2-(4-fluorophenyl)pyrimidine
SMILESCCCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C20H27FN2O/c1-2-3-4-5-6-7-8-9-14-24-19-15-22-20(23-16-19)17-10-12-18(21)13-11-17/h10-13,15-16H,2-9,14H2,1H3
InChIKeyYMPDSFFUTUWILH-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.80
Rot. Bonds11

About 5-decoxy-2-(4-fluorophenyl)pyrimidine

5-decoxy-2-(4-fluorophenyl)pyrimidine (PubChem CID 19006660) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-decoxy-2-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-decoxy-2-(4-fluorophenyl)pyrimidine
PubChem CID19006660
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name5-decoxy-2-(4-fluorophenyl)pyrimidine
SMILESCCCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C20H27FN2O/c1-2-3-4-5-6-7-8-9-14-24-19-15-22-20(23-16-19)17-10-12-18(21)13-11-17/h10-13,15-16H,2-9,14H2,1H3
InChIKeyYMPDSFFUTUWILH-UHFFFAOYSA-N
XLogP5.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.80
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-decoxy-2-(4-fluorophenyl)pyrimidine?
The IUPAC name of 5-decoxy-2-(4-fluorophenyl)pyrimidine (CID 19006660) is 5-decoxy-2-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 5-decoxy-2-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 5-decoxy-2-(4-fluorophenyl)pyrimidine is CCCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 5-decoxy-2-(4-fluorophenyl)pyrimidine?
The InChIKey is YMPDSFFUTUWILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-2-3-4-5-6-7-8-9-14-24-19-15-22-20(23-16-19)17-10-12-18(21)13-11-17/h10-13,15-16H,2-9,14H2,1H3.
What are the key properties of 5-decoxy-2-(4-fluorophenyl)pyrimidine?
5-decoxy-2-(4-fluorophenyl)pyrimidine has a molecular weight of 330.45 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decoxy-2-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 19006660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).