ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate

C12H18N2O5 — CID 58894057

IUPACethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)OC)n(C)c(=O)c1O
InChIInChI=1S/C12H18N2O5/c1-6-19-10(17)7-8(15)9(16)14(4)11(13-7)12(2,3)18-5/h15H,6H2,1-5H3
InChIKeyJYLBKPKUYZOMFN-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.54
Rot. Bonds4

About ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate

ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate (PubChem CID 58894057) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate
PubChem CID58894057
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)OC)n(C)c(=O)c1O
InChIInChI=1S/C12H18N2O5/c1-6-19-10(17)7-8(15)9(16)14(4)11(13-7)12(2,3)18-5/h15H,6H2,1-5H3
InChIKeyJYLBKPKUYZOMFN-UHFFFAOYSA-N
XLogP0.54
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate (CID 58894057) is ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate is CCOC(=O)c1nc(C(C)(C)OC)n(C)c(=O)c1O.
What is the InChIKey of ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate?
The InChIKey is JYLBKPKUYZOMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-6-19-10(17)7-8(15)9(16)14(4)11(13-7)12(2,3)18-5/h15H,6H2,1-5H3.
What are the key properties of ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate?
ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(2-methoxypropan-2-yl)-1-methyl-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 58894057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).