[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

C22H24N6O — CID 95814604

About [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone

[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 95814604) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
• PubChem CID: 95814604
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
• SMILES: Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1
• InChI: InChI=1S/C22H24N6O/c1-15-11-16(2)25-22(24-15)27-20-13-23-12-19(26-20)18-9-6-10-28(14-18)21(29)17-7-4-3-5-8-17/h3-5,7-8,11-13,18H,6,9-10,14H2,1-2H3,(H,24,25,26,27)/t18-/m0/s1
• InChIKey: AZCAQWKHFYOZIJ-SFHVURJKSA-N
• XLogP: 3.65
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?

The IUPAC name of [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone (CID 95814604) is [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone.

What is the SMILES notation for [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?

The canonical SMILES for [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is Cc1cc(C)nc(Nc2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1.

What is the InChIKey of [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?

The InChIKey is AZCAQWKHFYOZIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-11-16(2)25-22(24-15)27-20-13-23-12-19(26-20)18-9-6-10-28(14-18)21(29)17-7-4-3-5-8-17/h3-5,7-8,11-13,18H,6,9-10,14H2,1-2H3,(H,24,25,26,27)/t18-/m0/s1.

What are the key properties of [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone?

[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 388.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95814604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).