2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine

C17H22N2O2 — CID 19891638

IUPAC2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine
SMILESCCCOCOc1ccc(-c2ncc(CCC)cn2)cc1
InChIInChI=1S/C17H22N2O2/c1-3-5-14-11-18-17(19-12-14)15-6-8-16(9-7-15)21-13-20-10-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3
InChIKeyJCAPUQKWIUGZCD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.86
Rot. Bonds8

About 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine

2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine (PubChem CID 19891638) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine
PubChem CID19891638
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine
SMILESCCCOCOc1ccc(-c2ncc(CCC)cn2)cc1
InChIInChI=1S/C17H22N2O2/c1-3-5-14-11-18-17(19-12-14)15-6-8-16(9-7-15)21-13-20-10-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3
InChIKeyJCAPUQKWIUGZCD-UHFFFAOYSA-N
XLogP3.86
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-5-propylpyrimidine
CID 18702636
5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 19891615
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-butyl-2-[4-(3-methylpentoxy)phenyl]pyrimidine
CID 67815863
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494
5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 21288757
2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]-5-propylpyrimidine
CID 19738942
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
2-(4-butoxyphenyl)-5-octylpyrimidine;trifluoroborane;fluoride
CID 158372966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine?
The IUPAC name of 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine (CID 19891638) is 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine is CCCOCOc1ccc(-c2ncc(CCC)cn2)cc1.
What is the InChIKey of 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine?
The InChIKey is JCAPUQKWIUGZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-5-14-11-18-17(19-12-14)15-6-8-16(9-7-15)21-13-20-10-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3.
What are the key properties of 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine?
2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine has a molecular weight of 286.38 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine is sourced from PubChem (CID 19891638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).