1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione

C13H19N3O4 — CID 70744300

IUPAC1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCC[C@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O4/c1-2-10-9-20-8-7-16(10)12(18)4-6-15-5-3-11(17)14-13(15)19/h3,5,10H,2,4,6-9H2,1H3,(H,14,17,19)/t10-/m0/s1
InChIKeyYXIHNWTVLHHWFL-JTQLQIEISA-N
MW281.31 g/mol
LogP-0.44
Rot. Bonds4

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

1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 70744300) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID70744300
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCC[C@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O4/c1-2-10-9-20-8-7-16(10)12(18)4-6-15-5-3-11(17)14-13(15)19/h3,5,10H,2,4,6-9H2,1H3,(H,14,17,19)/t10-/m0/s1
InChIKeyYXIHNWTVLHHWFL-JTQLQIEISA-N
XLogP-0.44
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 70744300) is 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione is CC[C@H]1COCCN1C(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is YXIHNWTVLHHWFL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-10-9-20-8-7-16(10)12(18)4-6-15-5-3-11(17)14-13(15)19/h3,5,10H,2,4,6-9H2,1H3,(H,14,17,19)/t10-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-ethylmorpholin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70744300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).