5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine

C20H28N2O2 — CID 19891615

IUPAC5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
SMILESCCCCCc1cnc(-c2ccc(OCCOCCC)cc2)nc1
InChIInChI=1S/C20H28N2O2/c1-3-5-6-7-17-15-21-20(22-16-17)18-8-10-19(11-9-18)24-14-13-23-12-4-2/h8-11,15-16H,3-7,12-14H2,1-2H3
InChIKeyOIJBILIUZPAFMB-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.68
Rot. Bonds11

About 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine

5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine (PubChem CID 19891615) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
PubChem CID19891615
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
SMILESCCCCCc1cnc(-c2ccc(OCCOCCC)cc2)nc1
InChIInChI=1S/C20H28N2O2/c1-3-5-6-7-17-15-21-20(22-16-17)18-8-10-19(11-9-18)24-14-13-23-12-4-2/h8-11,15-16H,3-7,12-14H2,1-2H3
InChIKeyOIJBILIUZPAFMB-UHFFFAOYSA-N
XLogP4.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.68
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

5-decyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine;5-nonyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 161112053
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
CID 19891536
2-(4-butoxyphenyl)-5-octylpyrimidine;trifluoroborane;fluoride
CID 158372966
2-[4-[(4-hexoxyphenyl)methoxy]phenyl]-5-nonylpyrimidine
CID 21288728
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
5-octyl-2-[4-[6-[3-[6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]pyrimidine
CID 101382006
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
5-heptyl-2-[4-(4-methylhexoxy)phenyl]pyrimidine
CID 14178076
2-[4-[4-[(2S)-2-methylbutoxy]butoxy]phenyl]-5-octylpyrimidine
CID 18611646

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine?
The IUPAC name of 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine (CID 19891615) is 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine.
What is the SMILES notation for 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine?
The canonical SMILES for 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine is CCCCCc1cnc(-c2ccc(OCCOCCC)cc2)nc1.
What is the InChIKey of 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine?
The InChIKey is OIJBILIUZPAFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-5-6-7-17-15-21-20(22-16-17)18-8-10-19(11-9-18)24-14-13-23-12-4-2/h8-11,15-16H,3-7,12-14H2,1-2H3.
What are the key properties of 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine?
5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine is sourced from PubChem (CID 19891615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).