4-phenyl-5-propoxypyrimidine

C13H14N2O — CID 90946244

IUPAC4-phenyl-5-propoxypyrimidine
SMILESCCCOc1cncnc1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-8-16-12-9-14-10-15-13(12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyWMFYSFVIJPQPFX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.93
Rot. Bonds4

About 4-phenyl-5-propoxypyrimidine

4-phenyl-5-propoxypyrimidine (PubChem CID 90946244) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-phenyl-5-propoxypyrimidine.

Molecular Properties

Compound Name4-phenyl-5-propoxypyrimidine
PubChem CID90946244
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-phenyl-5-propoxypyrimidine
SMILESCCCOc1cncnc1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-8-16-12-9-14-10-15-13(12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyWMFYSFVIJPQPFX-UHFFFAOYSA-N
XLogP2.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propoxypyrimidine?
The IUPAC name of 4-phenyl-5-propoxypyrimidine (CID 90946244) is 4-phenyl-5-propoxypyrimidine.
What is the SMILES notation for 4-phenyl-5-propoxypyrimidine?
The canonical SMILES for 4-phenyl-5-propoxypyrimidine is CCCOc1cncnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propoxypyrimidine?
The InChIKey is WMFYSFVIJPQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-8-16-12-9-14-10-15-13(12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 4-phenyl-5-propoxypyrimidine?
4-phenyl-5-propoxypyrimidine has a molecular weight of 214.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propoxypyrimidine is sourced from PubChem (CID 90946244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).