2-(4-ethoxyphenyl)-5-propylpyrimidine

C15H18N2O — CID 18702636

IUPAC2-(4-ethoxyphenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(OCC)cc2)nc1
InChIInChI=1S/C15H18N2O/c1-3-5-12-10-16-15(17-11-12)13-6-8-14(9-7-13)18-4-2/h6-11H,3-5H2,1-2H3
InChIKeyNBMQVTFVZKDZFS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.49
Rot. Bonds5

About 2-(4-ethoxyphenyl)-5-propylpyrimidine

2-(4-ethoxyphenyl)-5-propylpyrimidine (PubChem CID 18702636) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-propylpyrimidine
PubChem CID18702636
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(4-ethoxyphenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2ccc(OCC)cc2)nc1
InChIInChI=1S/C15H18N2O/c1-3-5-12-10-16-15(17-11-12)13-6-8-14(9-7-13)18-4-2/h6-11H,3-5H2,1-2H3
InChIKeyNBMQVTFVZKDZFS-UHFFFAOYSA-N
XLogP3.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(propoxymethoxy)phenyl]-5-propylpyrimidine
CID 19891638
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494
5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 21288757
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
2-(4-butylphenyl)-5-propylpyrimidine
CID 611185
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]-5-propylpyrimidine
CID 19738942
5-hexyl-2-[4-[(4-pentylphenyl)methoxy]phenyl]pyrimidine
CID 14047581
5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 19891615
2-(4-butoxyphenyl)-5-octylpyrimidine;trifluoroborane;fluoride
CID 158372966

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-propylpyrimidine?
The IUPAC name of 2-(4-ethoxyphenyl)-5-propylpyrimidine (CID 18702636) is 2-(4-ethoxyphenyl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-propylpyrimidine is CCCc1cnc(-c2ccc(OCC)cc2)nc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-propylpyrimidine?
The InChIKey is NBMQVTFVZKDZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-5-12-10-16-15(17-11-12)13-6-8-14(9-7-13)18-4-2/h6-11H,3-5H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-propylpyrimidine?
2-(4-ethoxyphenyl)-5-propylpyrimidine has a molecular weight of 242.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-propylpyrimidine is sourced from PubChem (CID 18702636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).