5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine

C23H34N2O2 — CID 19891536

IUPAC5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCCOC)cc2)nc1
InChIInChI=1S/C23H34N2O2/c1-3-4-5-6-7-8-9-10-11-20-18-24-23(25-19-20)21-12-14-22(15-13-21)27-17-16-26-2/h12-15,18-19H,3-11,16-17H2,1-2H3
InChIKeyXCHNYYKRQRHAPE-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.85
Rot. Bonds14

About 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine

5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine (PubChem CID 19891536) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
PubChem CID19891536
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCCOC)cc2)nc1
InChIInChI=1S/C23H34N2O2/c1-3-4-5-6-7-8-9-10-11-20-18-24-23(25-19-20)21-12-14-22(15-13-21)27-17-16-26-2/h12-15,18-19H,3-11,16-17H2,1-2H3
InChIKeyXCHNYYKRQRHAPE-UHFFFAOYSA-N
XLogP5.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-decyl-2-[4-(2-methoxyethoxy)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

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-propoxyethoxy)phenyl]pyrimidine;5-nonyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 161112053
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 19891615
2-(4-butoxyphenyl)-5-octylpyrimidine;trifluoroborane;fluoride
CID 158372966
2-[4-[(4-hexoxyphenyl)methoxy]phenyl]-5-nonylpyrimidine
CID 21288728
5-octyl-2-[4-[6-[3-[6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]pyrimidine
CID 101382006
5-heptyl-2-[4-(4-methylhexoxy)phenyl]pyrimidine
CID 14178076
5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
2-[4-[(Z)-non-5-enoxy]phenyl]-5-octylpyrimidine
CID 70269690

Frequently Asked Questions

What is the IUPAC name of 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine?
The IUPAC name of 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine (CID 19891536) is 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine.
What is the SMILES notation for 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine?
The canonical SMILES for 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine is CCCCCCCCCCc1cnc(-c2ccc(OCCOC)cc2)nc1.
What is the InChIKey of 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine?
The InChIKey is XCHNYYKRQRHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-4-5-6-7-8-9-10-11-20-18-24-23(25-19-20)21-12-14-22(15-13-21)27-17-16-26-2/h12-15,18-19H,3-11,16-17H2,1-2H3.
What are the key properties of 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine?
5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine has a molecular weight of 370.54 g/mol, XLogP of 5.85, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine is sourced from PubChem (CID 19891536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).