3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C22H27N5O4 — CID 135758850

About 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 135758850) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
• PubChem CID: 135758850
• Molecular Formula: C22H27N5O4
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.21
• IUPAC Name: 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
• SMILES: Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc(N2CCCC2=O)c1
• InChI: InChI=1S/C22H27N5O4/c1-15-18(21(30)25-22(23-15)26-10-12-31-13-11-26)7-8-19(28)24-16-4-2-5-17(14-16)27-9-3-6-20(27)29/h2,4-5,14H,3,6-13H2,1H3,(H,24,28)(H,23,25,30)
• InChIKey: ORRFMTDPDDXFRS-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 107.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

The IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 135758850) is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

What is the SMILES notation for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

The canonical SMILES for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc(N2CCCC2=O)c1.

What is the InChIKey of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

The InChIKey is ORRFMTDPDDXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-15-18(21(30)25-22(23-15)26-10-12-31-13-11-26)7-8-19(28)24-16-4-2-5-17(14-16)27-9-3-6-20(27)29/h2,4-5,14H,3,6-13H2,1H3,(H,24,28)(H,23,25,30).

What are the key properties of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 425.49 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 135758850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).