1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione

C13H22N2O4 — CID 170067421

IUPAC1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione
SMILESCC[C@](COC)(Cn1ccc(=O)[nH]c1=O)C(C)CO
InChIInChI=1S/C13H22N2O4/c1-4-13(9-19-3,10(2)7-16)8-15-6-5-11(17)14-12(15)18/h5-6,10,16H,4,7-9H2,1-3H3,(H,14,17,18)/t10?,13-/m1/s1
InChIKeyILKIDHUZCCYVQC-JLOHTSLTSA-N
MW270.33 g/mol
LogP0.21
Rot. Bonds7

About 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione

1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione (PubChem CID 170067421) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione
PubChem CID170067421
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione
SMILESCC[C@](COC)(Cn1ccc(=O)[nH]c1=O)C(C)CO
InChIInChI=1S/C13H22N2O4/c1-4-13(9-19-3,10(2)7-16)8-15-6-5-11(17)14-12(15)18/h5-6,10,16H,4,7-9H2,1-3H3,(H,14,17,18)/t10?,13-/m1/s1
InChIKeyILKIDHUZCCYVQC-JLOHTSLTSA-N
XLogP0.21
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione (CID 170067421) is 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione is CC[C@](COC)(Cn1ccc(=O)[nH]c1=O)C(C)CO.
What is the InChIKey of 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione?
The InChIKey is ILKIDHUZCCYVQC-JLOHTSLTSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-4-13(9-19-3,10(2)7-16)8-15-6-5-11(17)14-12(15)18/h5-6,10,16H,4,7-9H2,1-3H3,(H,14,17,18)/t10?,13-/m1/s1.
What are the key properties of 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione?
1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethyl-4-hydroxy-2-(methoxymethyl)-3-methylbutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 170067421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).