2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one

C19H27N5O2 — CID 136845342

About 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136845342) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one
• PubChem CID: 136845342
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one
• SMILES: Cc1nc(C2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)cc(=O)[nH]1
• InChI: InChI=1S/C19H27N5O2/c1-12(2)18-20-7-10-24(18)13(3)19(26)23-8-5-15(6-9-23)16-11-17(25)22-14(4)21-16/h7,10-13,15H,5-6,8-9H2,1-4H3,(H,21,22,25)/t13-/m1/s1
• InChIKey: YJCBXDBLVHXPMP-CYBMUJFWSA-N
• XLogP: 2.37
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one?

The IUPAC name of 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 136845342) is 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one.

What is the SMILES notation for 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one?

The canonical SMILES for 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)cc(=O)[nH]1.

What is the InChIKey of 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one?

The InChIKey is YJCBXDBLVHXPMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)18-20-7-10-24(18)13(3)19(26)23-8-5-15(6-9-23)16-11-17(25)22-14(4)21-16/h7,10-13,15H,5-6,8-9H2,1-4H3,(H,21,22,25)/t13-/m1/s1.

What are the key properties of 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one?

2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 357.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136845342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).