4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one

C22H28N4O3 — CID 137232151

About 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one

4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one (PubChem CID 137232151) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
• PubChem CID: 137232151
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
• SMILES: Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C1
• InChI: InChI=1S/C22H28N4O3/c1-16-19(21(28)24-22(23-16)25-11-13-29-14-12-25)7-8-20(27)26-10-9-18(15-26)17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3,(H,23,24,28)/t18-/m1/s1
• InChIKey: AKMCDEFPNZSDCT-GOSISDBHSA-N
• XLogP: 1.86
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one?

The IUPAC name of 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one (CID 137232151) is 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one?

The canonical SMILES for 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CC[C@@H](c2ccccc2)C1.

What is the InChIKey of 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one?

The InChIKey is AKMCDEFPNZSDCT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-19(21(28)24-22(23-16)25-11-13-29-14-12-25)7-8-20(27)26-10-9-18(15-26)17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3,(H,23,24,28)/t18-/m1/s1.

What are the key properties of 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one?

4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one has a molecular weight of 396.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137232151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).