methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate

C13H19N3O5 — CID 59346639

IUPACmethyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C(C)(C)NC(C)=O)nc(OC)c1OC
InChIInChI=1S/C13H19N3O5/c1-7(17)16-13(2,3)12-14-8(11(18)21-6)9(19-4)10(15-12)20-5/h1-6H3,(H,16,17)
InChIKeyUBSUXAZPIXFXSU-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.65
Rot. Bonds5

About methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate

methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate (PubChem CID 59346639) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate
PubChem CID59346639
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Namemethyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C(C)(C)NC(C)=O)nc(OC)c1OC
InChIInChI=1S/C13H19N3O5/c1-7(17)16-13(2,3)12-14-8(11(18)21-6)9(19-4)10(15-12)20-5/h1-6H3,(H,16,17)
InChIKeyUBSUXAZPIXFXSU-UHFFFAOYSA-N
XLogP0.65
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate (CID 59346639) is methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate is COC(=O)c1nc(C(C)(C)NC(C)=O)nc(OC)c1OC.
What is the InChIKey of methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
The InChIKey is UBSUXAZPIXFXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7(17)16-13(2,3)12-14-8(11(18)21-6)9(19-4)10(15-12)20-5/h1-6H3,(H,16,17).
What are the key properties of methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate?
methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamidopropan-2-yl)-5,6-dimethoxypyrimidine-4-carboxylate is sourced from PubChem (CID 59346639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).