1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione

C21H26N4O4 — CID 155499136

About 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione

1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 155499136) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
• PubChem CID: 155499136
• Molecular Formula: C21H26N4O4
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.20
• IUPAC Name: 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione
• SMILES: O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C21H26N4O4/c26-18-8-11-24(21(28)22-18)15-19(27)25-12-13-29-17(14-23-9-4-5-10-23)20(25)16-6-2-1-3-7-16/h1-3,6-8,11,17,20H,4-5,9-10,12-15H2,(H,22,26,28)/t17-,20-/m0/s1
• InChIKey: HZVWPKVYXGCQCO-PXNSSMCTSA-N
• XLogP: 0.60
• TPSA: 87.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione (CID 155499136) is 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.

What is the InChIKey of 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?

The InChIKey is HZVWPKVYXGCQCO-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-18-8-11-24(21(28)22-18)15-19(27)25-12-13-29-17(14-23-9-4-5-10-23)20(25)16-6-2-1-3-7-16/h1-3,6-8,11,17,20H,4-5,9-10,12-15H2,(H,22,26,28)/t17-,20-/m0/s1.

What are the key properties of 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione?

1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 398.46 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 155499136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).