1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

C13H20N2O3 — CID 118321438

IUPAC1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCC[C@@]1(C)CC[C@H](n2cc(C)c(=O)n(C)c2=O)O1
InChIInChI=1S/C13H20N2O3/c1-5-13(3)7-6-10(18-13)15-8-9(2)11(16)14(4)12(15)17/h8,10H,5-7H2,1-4H3/t10-,13+/m1/s1
InChIKeySJVRQHZEYIGGSA-MFKMUULPSA-N
MW252.31 g/mol
LogP1.33
Rot. Bonds2

About 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione (PubChem CID 118321438) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
PubChem CID118321438
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
SMILESCC[C@@]1(C)CC[C@H](n2cc(C)c(=O)n(C)c2=O)O1
InChIInChI=1S/C13H20N2O3/c1-5-13(3)7-6-10(18-13)15-8-9(2)11(16)14(4)12(15)17/h8,10H,5-7H2,1-4H3/t10-,13+/m1/s1
InChIKeySJVRQHZEYIGGSA-MFKMUULPSA-N
XLogP1.33
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione (CID 118321438) is 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is CC[C@@]1(C)CC[C@H](n2cc(C)c(=O)n(C)c2=O)O1.
What is the InChIKey of 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
The InChIKey is SJVRQHZEYIGGSA-MFKMUULPSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-13(3)7-6-10(18-13)15-8-9(2)11(16)14(4)12(15)17/h8,10H,5-7H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione?
1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-ethyl-5-methyloxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 118321438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).