5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione

C11H17N3O4 — CID 70795763

IUPAC5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione
SMILESCCc1cn(C2CNCC(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-7-5-14(11(17)13-10(7)16)9-4-12-3-8(6-15)18-9/h5,8-9,12,15H,2-4,6H2,1H3,(H,13,16,17)
InChIKeyITYKQUJTUABJAZ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.42
Rot. Bonds3

About 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione

5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione (PubChem CID 70795763) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione
PubChem CID70795763
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione
SMILESCCc1cn(C2CNCC(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-7-5-14(11(17)13-10(7)16)9-4-12-3-8(6-15)18-9/h5,8-9,12,15H,2-4,6H2,1H3,(H,13,16,17)
InChIKeyITYKQUJTUABJAZ-UHFFFAOYSA-N
XLogP-1.42
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione (CID 70795763) is 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione is CCc1cn(C2CNCC(CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione?
The InChIKey is ITYKQUJTUABJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-7-5-14(11(17)13-10(7)16)9-4-12-3-8(6-15)18-9/h5,8-9,12,15H,2-4,6H2,1H3,(H,13,16,17).
What are the key properties of 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione?
5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione has a molecular weight of 255.27 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[6-(hydroxymethyl)morpholin-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).