[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C20H30N6O — CID 86285447

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 86285447) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
• PubChem CID: 86285447
• Molecular Formula: C20H30N6O
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.25
• IUPAC Name: [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
• SMILES: Cc1nccn1CCC1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1
• InChI: InChI=1S/C20H30N6O/c1-14(2)12-16-13-18(24-20(21)23-16)19(27)26-9-5-4-6-17(26)7-10-25-11-8-22-15(25)3/h8,11,13-14,17H,4-7,9-10,12H2,1-3H3,(H2,21,23,24)
• InChIKey: CVPGWSKNTMCVAI-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?

The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 86285447) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?

The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is Cc1nccn1CCC1CCCCN1C(=O)c1cc(CC(C)C)nc(N)n1.

What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?

The InChIKey is CVPGWSKNTMCVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)12-16-13-18(24-20(21)23-16)19(27)26-9-5-4-6-17(26)7-10-25-11-8-22-15(25)3/h8,11,13-14,17H,4-7,9-10,12H2,1-3H3,(H2,21,23,24).

What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 370.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 86285447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).