5-methoxy-2-tridecan-7-ylpyrimidine

C18H32N2O — CID 166765750

IUPAC5-methoxy-2-tridecan-7-ylpyrimidine
SMILESCCCCCCC(CCCCCC)c1ncc(OC)cn1
InChIInChI=1S/C18H32N2O/c1-4-6-8-10-12-16(13-11-9-7-5-2)18-19-14-17(21-3)15-20-18/h14-16H,4-13H2,1-3H3
InChIKeyCFIKERXHVSOXKV-UHFFFAOYSA-N
MW292.47 g/mol
LogP5.51
Rot. Bonds12

About 5-methoxy-2-tridecan-7-ylpyrimidine

5-methoxy-2-tridecan-7-ylpyrimidine (PubChem CID 166765750) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-methoxy-2-tridecan-7-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-2-tridecan-7-ylpyrimidine
PubChem CID166765750
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-methoxy-2-tridecan-7-ylpyrimidine
SMILESCCCCCCC(CCCCCC)c1ncc(OC)cn1
InChIInChI=1S/C18H32N2O/c1-4-6-8-10-12-16(13-11-9-7-5-2)18-19-14-17(21-3)15-20-18/h14-16H,4-13H2,1-3H3
InChIKeyCFIKERXHVSOXKV-UHFFFAOYSA-N
XLogP5.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.51
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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Related Compounds

2-hexadecan-8-yl-5-methoxypyrazine
CID 146209208
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
CID 166688598
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
4-(5-octylpyrimidin-2-yl)-8-phenoxyoctan-1-ol
CID 57054442
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-ethyl-3-tridecan-7-yl-1,2,4-triazole
CID 126500080
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-(5-butoxypyrimidin-2-yl)ethanol
CID 170050824
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-tridecan-7-ylpyrimidine?
The IUPAC name of 5-methoxy-2-tridecan-7-ylpyrimidine (CID 166765750) is 5-methoxy-2-tridecan-7-ylpyrimidine.
What is the SMILES notation for 5-methoxy-2-tridecan-7-ylpyrimidine?
The canonical SMILES for 5-methoxy-2-tridecan-7-ylpyrimidine is CCCCCCC(CCCCCC)c1ncc(OC)cn1.
What is the InChIKey of 5-methoxy-2-tridecan-7-ylpyrimidine?
The InChIKey is CFIKERXHVSOXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-6-8-10-12-16(13-11-9-7-5-2)18-19-14-17(21-3)15-20-18/h14-16H,4-13H2,1-3H3.
What are the key properties of 5-methoxy-2-tridecan-7-ylpyrimidine?
5-methoxy-2-tridecan-7-ylpyrimidine has a molecular weight of 292.47 g/mol, XLogP of 5.51, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-tridecan-7-ylpyrimidine is sourced from PubChem (CID 166765750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).