methyl 2,4,6-trimethoxypyrimidine-5-carboxylate

C9H12N2O5 — CID 13264363

IUPACmethyl 2,4,6-trimethoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1c(OC)nc(OC)nc1OC
InChIInChI=1S/C9H12N2O5/c1-13-6-5(8(12)15-3)7(14-2)11-9(10-6)16-4/h1-4H3
InChIKeyDZIRFGZEMFCCKG-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.29
Rot. Bonds4

About methyl 2,4,6-trimethoxypyrimidine-5-carboxylate

methyl 2,4,6-trimethoxypyrimidine-5-carboxylate (PubChem CID 13264363) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is methyl 2,4,6-trimethoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4,6-trimethoxypyrimidine-5-carboxylate
PubChem CID13264363
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Namemethyl 2,4,6-trimethoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1c(OC)nc(OC)nc1OC
InChIInChI=1S/C9H12N2O5/c1-13-6-5(8(12)15-3)7(14-2)11-9(10-6)16-4/h1-4H3
InChIKeyDZIRFGZEMFCCKG-UHFFFAOYSA-N
XLogP0.29
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2,4,6-trimethoxypyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4,6-trimethoxypyrimidine-5-carboxylate (CID 13264363) is methyl 2,4,6-trimethoxypyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4,6-trimethoxypyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4,6-trimethoxypyrimidine-5-carboxylate is COC(=O)c1c(OC)nc(OC)nc1OC.
What is the InChIKey of methyl 2,4,6-trimethoxypyrimidine-5-carboxylate?
The InChIKey is DZIRFGZEMFCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-13-6-5(8(12)15-3)7(14-2)11-9(10-6)16-4/h1-4H3.
What are the key properties of methyl 2,4,6-trimethoxypyrimidine-5-carboxylate?
methyl 2,4,6-trimethoxypyrimidine-5-carboxylate has a molecular weight of 228.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4,6-trimethoxypyrimidine-5-carboxylate is sourced from PubChem (CID 13264363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).