5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine

C32H49FN2O2 — CID 70181076

IUPAC5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine
SMILESCCCCCC[C@@H](F)COc1ccc(-c2ncc(OCCCCCCCCCC3CCCC3)cn2)cc1
InChIInChI=1S/C32H49FN2O2/c1-2-3-4-11-18-29(33)26-37-30-21-19-28(20-22-30)32-34-24-31(25-35-32)36-23-14-9-7-5-6-8-10-15-27-16-12-13-17-27/h19-22,24-25,27,29H,2-18,23,26H2,1H3/t29-/m1/s1
InChIKeySTXCWFZFSIOANO-GDLZYMKVSA-N
MW512.75 g/mol
LogP9.52
Rot. Bonds20

About 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine

5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine (PubChem CID 70181076) has the molecular formula C32H49FN2O2 and a molecular weight of 512.75 g/mol. Its IUPAC name is 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine.

Molecular Properties

Compound Name5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine
PubChem CID70181076
Molecular FormulaC32H49FN2O2
Molecular Weight512.75 g/mol
Exact Mass512.38
IUPAC Name5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine
SMILESCCCCCC[C@@H](F)COc1ccc(-c2ncc(OCCCCCCCCCC3CCCC3)cn2)cc1
InChIInChI=1S/C32H49FN2O2/c1-2-3-4-11-18-29(33)26-37-30-21-19-28(20-22-30)32-34-24-31(25-35-32)36-23-14-9-7-5-6-8-10-15-27-16-12-13-17-27/h19-22,24-25,27,29H,2-18,23,26H2,1H3/t29-/m1/s1
InChIKeySTXCWFZFSIOANO-GDLZYMKVSA-N
XLogP9.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.75
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(8-cyclopentyloctyl)-2-[4-(2-fluorooctoxy)phenyl]pyrimidine
CID 19083542
2-[4-(8-cyclopentyloctoxy)phenyl]-5-nonoxypyrimidine
CID 19083480
5-(7-cyclopropylheptoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474619
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617
5-(8-cyclopropyloctoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474626
2-[4-(2-fluorooctoxy)phenyl]-5-(7,7,8,8,8-pentafluorooctoxy)pyrimidine
CID 102091638
2-[4-(2-fluorononoxy)phenyl]-5-(4-hexoxyphenyl)pyrimidine
CID 54419538
2-[4-(2-fluoroheptoxy)phenyl]-5-(4-hexoxyphenyl)pyrimidine
CID 54512146
5-(4-decoxyphenyl)-2-[4-(2-fluoroundecoxy)phenyl]pyrimidine
CID 54471281
5-(7-cyclopentylheptoxy)-2-[4-(7-cyclopentylheptoxy)phenyl]pyrimidine
CID 19083536
2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine
CID 90769848
2-[4-(3-fluoroundecoxy)phenyl]-5-octoxypyrimidine
CID 19105702

Frequently Asked Questions

What is the IUPAC name of 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine?
The IUPAC name of 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine (CID 70181076) is 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine.
What is the SMILES notation for 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine?
The canonical SMILES for 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine is CCCCCC[C@@H](F)COc1ccc(-c2ncc(OCCCCCCCCCC3CCCC3)cn2)cc1.
What is the InChIKey of 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine?
The InChIKey is STXCWFZFSIOANO-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H49FN2O2/c1-2-3-4-11-18-29(33)26-37-30-21-19-28(20-22-30)32-34-24-31(25-35-32)36-23-14-9-7-5-6-8-10-15-27-16-12-13-17-27/h19-22,24-25,27,29H,2-18,23,26H2,1H3/t29-/m1/s1.
What are the key properties of 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine?
5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine has a molecular weight of 512.75 g/mol, XLogP of 9.52, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine is sourced from PubChem (CID 70181076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).