4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one

C19H26N4O4 — CID 56916048

IUPAC4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCOCC2CC(=O)N2CC=CC2)nc(=O)[nH]1
InChIInChI=1S/C19H26N4O4/c1-13(2)9-14-10-16(21-19(26)20-14)18(25)23-7-8-27-12-15(23)11-17(24)22-5-3-4-6-22/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,21,26)
InChIKeyURCMRSAAKMXHIT-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.60
Rot. Bonds5

About 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one

4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 56916048) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID56916048
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCOCC2CC(=O)N2CC=CC2)nc(=O)[nH]1
InChIInChI=1S/C19H26N4O4/c1-13(2)9-14-10-16(21-19(26)20-14)18(25)23-7-8-27-12-15(23)11-17(24)22-5-3-4-6-22/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,21,26)
InChIKeyURCMRSAAKMXHIT-UHFFFAOYSA-N
XLogP0.60
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one (CID 56916048) is 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCOCC2CC(=O)N2CC=CC2)nc(=O)[nH]1.
What is the InChIKey of 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is URCMRSAAKMXHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13(2)9-14-10-16(21-19(26)20-14)18(25)23-7-8-27-12-15(23)11-17(24)22-5-3-4-6-22/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,21,26).
What are the key properties of 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one?
4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 374.44 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 56916048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).