methyl 6-methoxy-2-methylpyrimidine-4-carboxylate

C8H10N2O3 — CID 19018473

IUPACmethyl 6-methoxy-2-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(C)n1
InChIInChI=1S/C8H10N2O3/c1-5-9-6(8(11)13-3)4-7(10-5)12-2/h4H,1-3H3
InChIKeyPLYUIICLTQITBK-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.58
Rot. Bonds2

About methyl 6-methoxy-2-methylpyrimidine-4-carboxylate

methyl 6-methoxy-2-methylpyrimidine-4-carboxylate (PubChem CID 19018473) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 6-methoxy-2-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-methylpyrimidine-4-carboxylate
PubChem CID19018473
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 6-methoxy-2-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(C)n1
InChIInChI=1S/C8H10N2O3/c1-5-9-6(8(11)13-3)4-7(10-5)12-2/h4H,1-3H3
InChIKeyPLYUIICLTQITBK-UHFFFAOYSA-N
XLogP0.58
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methoxy-2-methylpyrimidine-4-carboxylate (CID 19018473) is methyl 6-methoxy-2-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-methylpyrimidine-4-carboxylate is COC(=O)c1cc(OC)nc(C)n1.
What is the InChIKey of methyl 6-methoxy-2-methylpyrimidine-4-carboxylate?
The InChIKey is PLYUIICLTQITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-9-6(8(11)13-3)4-7(10-5)12-2/h4H,1-3H3.
What are the key properties of methyl 6-methoxy-2-methylpyrimidine-4-carboxylate?
methyl 6-methoxy-2-methylpyrimidine-4-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 19018473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).