5-methoxy-2-phenyl-4-propoxypyrimidine

C14H16N2O2 — CID 67908224

IUPAC5-methoxy-2-phenyl-4-propoxypyrimidine
SMILESCCCOc1nc(-c2ccccc2)ncc1OC
InChIInChI=1S/C14H16N2O2/c1-3-9-18-14-12(17-2)10-15-13(16-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyHIMZGHUGDVHLEJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds5

About 5-methoxy-2-phenyl-4-propoxypyrimidine

5-methoxy-2-phenyl-4-propoxypyrimidine (PubChem CID 67908224) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-4-propoxypyrimidine.

Molecular Properties

Compound Name5-methoxy-2-phenyl-4-propoxypyrimidine
PubChem CID67908224
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methoxy-2-phenyl-4-propoxypyrimidine
SMILESCCCOc1nc(-c2ccccc2)ncc1OC
InChIInChI=1S/C14H16N2O2/c1-3-9-18-14-12(17-2)10-15-13(16-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyHIMZGHUGDVHLEJ-UHFFFAOYSA-N
XLogP2.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-4-propoxypyrimidine?
The IUPAC name of 5-methoxy-2-phenyl-4-propoxypyrimidine (CID 67908224) is 5-methoxy-2-phenyl-4-propoxypyrimidine.
What is the SMILES notation for 5-methoxy-2-phenyl-4-propoxypyrimidine?
The canonical SMILES for 5-methoxy-2-phenyl-4-propoxypyrimidine is CCCOc1nc(-c2ccccc2)ncc1OC.
What is the InChIKey of 5-methoxy-2-phenyl-4-propoxypyrimidine?
The InChIKey is HIMZGHUGDVHLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-9-18-14-12(17-2)10-15-13(16-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 5-methoxy-2-phenyl-4-propoxypyrimidine?
5-methoxy-2-phenyl-4-propoxypyrimidine has a molecular weight of 244.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-4-propoxypyrimidine is sourced from PubChem (CID 67908224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).