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

C24H32N6O5 — CID 135883436

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

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (PubChem CID 135883436) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
• PubChem CID: 135883436
• Molecular Formula: C24H32N6O5
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.24
• IUPAC Name: 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
• SMILES: Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
• InChI: InChI=1S/C24H32N6O5/c1-17-20(23(33)28-24(25-17)30-10-14-35-15-11-30)6-7-21(31)26-18-2-4-19(5-3-18)27-22(32)16-29-8-12-34-13-9-29/h2-5H,6-16H2,1H3,(H,26,31)(H,27,32)(H,25,28,33)
• InChIKey: WQDHICCFHLSIDK-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 128.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (CID 135883436) is 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.

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

The canonical SMILES for 3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.

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

The InChIKey is WQDHICCFHLSIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-17-20(23(33)28-24(25-17)30-10-14-35-15-11-30)6-7-21(31)26-18-2-4-19(5-3-18)27-22(32)16-29-8-12-34-13-9-29/h2-5H,6-16H2,1H3,(H,26,31)(H,27,32)(H,25,28,33).

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

3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide has a molecular weight of 484.56 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 135883436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).