6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C24H26N6O3 — CID 122332651

About 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122332651) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122332651
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)n1
• InChI: InChI=1S/C24H26N6O3/c1-17-26-21(14-22(27-17)33-19-5-3-2-4-6-19)28-9-11-29(12-10-28)24(32)15-30-16-25-20(13-23(30)31)18-7-8-18/h2-6,13-14,16,18H,7-12,15H2,1H3
• InChIKey: RNSMUQVWTYKBAN-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 93.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The IUPAC name of 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122332651) is 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The canonical SMILES for 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)CC2)n1.

What is the InChIKey of 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The InChIKey is RNSMUQVWTYKBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-17-26-21(14-22(27-17)33-19-5-3-2-4-6-19)28-9-11-29(12-10-28)24(32)15-30-16-25-20(13-23(30)31)18-7-8-18/h2-6,13-14,16,18H,7-12,15H2,1H3.

What are the key properties of 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 446.51 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[2-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122332651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).