2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine

C24H34F2N2O2 — CID 90769848

IUPAC2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine
SMILESCCCCCCCC[C@@H](F)COc1cnc(-c2ccc(OC[C@H](F)CC)cc2)nc1
InChIInChI=1S/C24H34F2N2O2/c1-3-5-6-7-8-9-10-21(26)18-30-23-15-27-24(28-16-23)19-11-13-22(14-12-19)29-17-20(25)4-2/h11-16,20-21H,3-10,17-18H2,1-2H3/t20-,21-/m1/s1
InChIKeyUMLAFYWDSHTYFL-NHCUHLMSSA-N
MW420.54 g/mol
LogP6.74
Rot. Bonds15

About 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine

2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine (PubChem CID 90769848) has the molecular formula C24H34F2N2O2 and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine.

Molecular Properties

Compound Name2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine
PubChem CID90769848
Molecular FormulaC24H34F2N2O2
Molecular Weight420.54 g/mol
Exact Mass420.26
IUPAC Name2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine
SMILESCCCCCCCC[C@@H](F)COc1cnc(-c2ccc(OC[C@H](F)CC)cc2)nc1
InChIInChI=1S/C24H34F2N2O2/c1-3-5-6-7-8-9-10-21(26)18-30-23-15-27-24(28-16-23)19-11-13-22(14-12-19)29-17-20(25)4-2/h11-16,20-21H,3-10,17-18H2,1-2H3/t20-,21-/m1/s1
InChIKeyUMLAFYWDSHTYFL-NHCUHLMSSA-N
XLogP6.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluorononoxy)phenyl]-5-(4-hexoxyphenyl)pyrimidine
CID 54419538
5-(4-decoxyphenyl)-2-[4-(2-fluoroundecoxy)phenyl]pyrimidine
CID 54471281
2-[4-(2-fluoroheptoxy)phenyl]-5-(4-hexoxyphenyl)pyrimidine
CID 54512146
2-[4-[(2S)-2-fluorooctoxy]phenyl]-5-octylpyrimidine
CID 22844431
2-[4-[4-(2-fluorooctoxy)phenyl]phenyl]-5-heptylpyrimidine
CID 19991216
5-[4-(2-fluorobutoxy)phenyl]-2-(4-nonoxyphenyl)pyrimidine
CID 22161111
5-[4-(2-fluorobutoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine
CID 22161090
2-[4-[(3S)-3-fluorodecoxy]phenyl]-5-[(3S)-3-fluorooctoxy]pyrimidine
CID 67849174
2-[4-(2,5-difluoroheptoxy)phenyl]-5-octylpyrimidine
CID 18697036
5-decyl-2-[4-(2,5-difluoroheptoxy)phenyl]pyrimidine
CID 18697305
2-[4-(2-fluorooctoxy)phenyl]-5-(7,7,8,8,8-pentafluorooctoxy)pyrimidine
CID 102091638
2-[4-(3-fluoroundecoxy)phenyl]-5-octoxypyrimidine
CID 19105702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine?
The IUPAC name of 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine (CID 90769848) is 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine.
What is the SMILES notation for 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine?
The canonical SMILES for 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine is CCCCCCCC[C@@H](F)COc1cnc(-c2ccc(OC[C@H](F)CC)cc2)nc1.
What is the InChIKey of 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine?
The InChIKey is UMLAFYWDSHTYFL-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H34F2N2O2/c1-3-5-6-7-8-9-10-21(26)18-30-23-15-27-24(28-16-23)19-11-13-22(14-12-19)29-17-20(25)4-2/h11-16,20-21H,3-10,17-18H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine?
2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine has a molecular weight of 420.54 g/mol, XLogP of 6.74, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine is sourced from PubChem (CID 90769848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).