4-methoxy-6-methyl-5-propylpyrimidine

C9H14N2O — CID 56996496

IUPAC4-methoxy-6-methyl-5-propylpyrimidine
SMILESCCCc1c(C)ncnc1OC
InChIInChI=1S/C9H14N2O/c1-4-5-8-7(2)10-6-11-9(8)12-3/h6H,4-5H2,1-3H3
InChIKeyHJHOSAUOXUICFX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds3

About 4-methoxy-6-methyl-5-propylpyrimidine

4-methoxy-6-methyl-5-propylpyrimidine (PubChem CID 56996496) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-6-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-5-propylpyrimidine
PubChem CID56996496
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methoxy-6-methyl-5-propylpyrimidine
SMILESCCCc1c(C)ncnc1OC
InChIInChI=1S/C9H14N2O/c1-4-5-8-7(2)10-6-11-9(8)12-3/h6H,4-5H2,1-3H3
InChIKeyHJHOSAUOXUICFX-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-5-propylpyrimidine?
The IUPAC name of 4-methoxy-6-methyl-5-propylpyrimidine (CID 56996496) is 4-methoxy-6-methyl-5-propylpyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-5-propylpyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-5-propylpyrimidine is CCCc1c(C)ncnc1OC.
What is the InChIKey of 4-methoxy-6-methyl-5-propylpyrimidine?
The InChIKey is HJHOSAUOXUICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-7(2)10-6-11-9(8)12-3/h6H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-6-methyl-5-propylpyrimidine?
4-methoxy-6-methyl-5-propylpyrimidine has a molecular weight of 166.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-5-propylpyrimidine is sourced from PubChem (CID 56996496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).