4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C24H26N6O — CID 137264925

About 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137264925) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
• PubChem CID: 137264925
• Molecular Formula: C24H26N6O
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.22
• IUPAC Name: 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
• SMILES: Cc1nc(-c2ccc(NCc3cn(-c4ccccc4)nc3C(C)C)nc2)[nH]c(=O)c1C
• InChI: InChI=1S/C24H26N6O/c1-15(2)22-19(14-30(29-22)20-8-6-5-7-9-20)13-26-21-11-10-18(12-25-21)23-27-17(4)16(3)24(31)28-23/h5-12,14-15H,13H2,1-4H3,(H,25,26)(H,27,28,31)
• InChIKey: GFKSQBOFGUAGRC-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 88.49 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	414.51
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?

The IUPAC name of 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137264925) is 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?

The canonical SMILES for 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCc3cn(-c4ccccc4)nc3C(C)C)nc2)[nH]c(=O)c1C.

What is the InChIKey of 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?

The InChIKey is GFKSQBOFGUAGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15(2)22-19(14-30(29-22)20-8-6-5-7-9-20)13-26-21-11-10-18(12-25-21)23-27-17(4)16(3)24(31)28-23/h5-12,14-15H,13H2,1-4H3,(H,25,26)(H,27,28,31).

What are the key properties of 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?

4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 414.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137264925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).