2,4,6-trimethoxy-5-methylpyrimidine

C8H12N2O3 — CID 13420870

IUPAC2,4,6-trimethoxy-5-methylpyrimidine
SMILESCOc1nc(OC)c(C)c(OC)n1
InChIInChI=1S/C8H12N2O3/c1-5-6(11-2)9-8(13-4)10-7(5)12-3/h1-4H3
InChIKeyYLDKKIJFQCSQCF-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.81
Rot. Bonds3

About 2,4,6-trimethoxy-5-methylpyrimidine

2,4,6-trimethoxy-5-methylpyrimidine (PubChem CID 13420870) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2,4,6-trimethoxy-5-methylpyrimidine.

Molecular Properties

Compound Name2,4,6-trimethoxy-5-methylpyrimidine
PubChem CID13420870
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2,4,6-trimethoxy-5-methylpyrimidine
SMILESCOc1nc(OC)c(C)c(OC)n1
InChIInChI=1S/C8H12N2O3/c1-5-6(11-2)9-8(13-4)10-7(5)12-3/h1-4H3
InChIKeyYLDKKIJFQCSQCF-UHFFFAOYSA-N
XLogP0.81
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-5-methylpyrimidine?
The IUPAC name of 2,4,6-trimethoxy-5-methylpyrimidine (CID 13420870) is 2,4,6-trimethoxy-5-methylpyrimidine.
What is the SMILES notation for 2,4,6-trimethoxy-5-methylpyrimidine?
The canonical SMILES for 2,4,6-trimethoxy-5-methylpyrimidine is COc1nc(OC)c(C)c(OC)n1.
What is the InChIKey of 2,4,6-trimethoxy-5-methylpyrimidine?
The InChIKey is YLDKKIJFQCSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(11-2)9-8(13-4)10-7(5)12-3/h1-4H3.
What are the key properties of 2,4,6-trimethoxy-5-methylpyrimidine?
2,4,6-trimethoxy-5-methylpyrimidine has a molecular weight of 184.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-5-methylpyrimidine is sourced from PubChem (CID 13420870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).