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

C24H28N8O2 — CID 122350448

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

6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122350448) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122350448
• Molecular Formula: C24H28N8O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.23
• IUPAC Name: 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1ccnc(Nc2cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)nc(C)n2)c1
• InChI: InChI=1S/C24H28N8O2/c1-16-5-6-25-20(11-16)29-21-13-22(28-17(2)27-21)30-7-9-31(10-8-30)24(34)14-32-15-26-19(12-23(32)33)18-3-4-18/h5-6,11-13,15,18H,3-4,7-10,14H2,1-2H3,(H,25,27,28,29)
• InChIKey: HHJAZSNJBUPFAV-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 109.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122350448) is 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

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

The canonical SMILES for 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1ccnc(Nc2cc(N3CCN(C(=O)Cn4cnc(C5CC5)cc4=O)CC3)nc(C)n2)c1.

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

The InChIKey is HHJAZSNJBUPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16-5-6-25-20(11-16)29-21-13-22(28-17(2)27-21)30-7-9-31(10-8-30)24(34)14-32-15-26-19(12-23(32)33)18-3-4-18/h5-6,11-13,15,18H,3-4,7-10,14H2,1-2H3,(H,25,27,28,29).

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

6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 460.54 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[2-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).