5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 70778511

IUPAC5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1COCCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-2-9-7-19-4-3-15(9)10(16)5-8-6-13-12(18)14-11(8)17/h6,9H,2-5,7H2,1H3,(H2,13,14,17,18)/t9-/m0/s1
InChIKeyHCEHRJBSKHTVBG-VIFPVBQESA-N
MW267.28 g/mol
LogP-0.76
Rot. Bonds3

About 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70778511) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70778511
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1COCCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-2-9-7-19-4-3-15(9)10(16)5-8-6-13-12(18)14-11(8)17/h6,9H,2-5,7H2,1H3,(H2,13,14,17,18)/t9-/m0/s1
InChIKeyHCEHRJBSKHTVBG-VIFPVBQESA-N
XLogP-0.76
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70778511) is 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC[C@H]1COCCN1C(=O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HCEHRJBSKHTVBG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-9-7-19-4-3-15(9)10(16)5-8-6-13-12(18)14-11(8)17/h6,9H,2-5,7H2,1H3,(H2,13,14,17,18)/t9-/m0/s1.
What are the key properties of 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70778511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).