6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine

C20H25N7 — CID 125026546

About 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine

6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 125026546) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
• PubChem CID: 125026546
• Molecular Formula: C20H25N7
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.22
• IUPAC Name: 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
• SMILES: Cc1cccc(Nc2cc([C@H]3CCCN(Cc4cnc[nH]4)C3)nc(C)n2)n1
• InChI: InChI=1S/C20H25N7/c1-14-5-3-7-19(23-14)26-20-9-18(24-15(2)25-20)16-6-4-8-27(11-16)12-17-10-21-13-22-17/h3,5,7,9-10,13,16H,4,6,8,11-12H2,1-2H3,(H,21,22)(H,23,24,25,26)/t16-/m0/s1
• InChIKey: ZUKSYJJAQHOMGL-INIZCTEOSA-N
• XLogP: 3.33
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine?

The IUPAC name of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine (CID 125026546) is 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine.

What is the SMILES notation for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine?

The canonical SMILES for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1cccc(Nc2cc([C@H]3CCCN(Cc4cnc[nH]4)C3)nc(C)n2)n1.

What is the InChIKey of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine?

The InChIKey is ZUKSYJJAQHOMGL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N7/c1-14-5-3-7-19(23-14)26-20-9-18(24-15(2)25-20)16-6-4-8-27(11-16)12-17-10-21-13-22-17/h3,5,7,9-10,13,16H,4,6,8,11-12H2,1-2H3,(H,21,22)(H,23,24,25,26)/t16-/m0/s1.

What are the key properties of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine?

6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 125026546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).