2,4,6-trimethoxypyrimidine

C7H10N2O3 — CID 726938

IUPAC2,4,6-trimethoxypyrimidine
SMILESCOc1cc(OC)nc(OC)n1
InChIInChI=1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChIKeyRJVAFLZWVUIBOU-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.50
Rot. Bonds3

About 2,4,6-trimethoxypyrimidine

2,4,6-trimethoxypyrimidine (PubChem CID 726938) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2,4,6-trimethoxypyrimidine.

Molecular Properties

Compound Name2,4,6-trimethoxypyrimidine
PubChem CID726938
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2,4,6-trimethoxypyrimidine
SMILESCOc1cc(OC)nc(OC)n1
InChIInChI=1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChIKeyRJVAFLZWVUIBOU-UHFFFAOYSA-N
XLogP0.50
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxypyrimidine?
The IUPAC name of 2,4,6-trimethoxypyrimidine (CID 726938) is 2,4,6-trimethoxypyrimidine.
What is the SMILES notation for 2,4,6-trimethoxypyrimidine?
The canonical SMILES for 2,4,6-trimethoxypyrimidine is COc1cc(OC)nc(OC)n1.
What is the InChIKey of 2,4,6-trimethoxypyrimidine?
The InChIKey is RJVAFLZWVUIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3.
What are the key properties of 2,4,6-trimethoxypyrimidine?
2,4,6-trimethoxypyrimidine has a molecular weight of 170.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxypyrimidine is sourced from PubChem (CID 726938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).