1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide

C26H34N8O2 — CID 142995955

About 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide

1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide (PubChem CID 142995955) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide.

Molecular Properties

• Compound Name: 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide
• PubChem CID: 142995955
• Molecular Formula: C26H34N8O2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.28
• IUPAC Name: 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide
• SMILES: C/N=C(\NC)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ncccn1.CCNC=O
• InChI: InChI=1S/C23H27N7O.C3H7NO/c1-24-23(25-2)29-21-7-5-17(14-20(21)22-26-8-3-9-27-22)18-4-6-19(28-15-18)16-30-10-12-31-13-11-30;1-2-4-3-5/h3-9,14-15H,10-13,16H2,1-2H3,(H2,24,25,29);3H,2H2,1H3,(H,4,5)
• InChIKey: QURPFMCKNGLQEK-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 116.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide?

The IUPAC name of 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide (CID 142995955) is 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide.

What is the SMILES notation for 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide?

The canonical SMILES for 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide is C/N=C(\NC)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)cc1-c1ncccn1.CCNC=O.

What is the InChIKey of 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide?

The InChIKey is QURPFMCKNGLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.C3H7NO/c1-24-23(25-2)29-21-7-5-17(14-20(21)22-26-8-3-9-27-22)18-4-6-19(28-15-18)16-30-10-12-31-13-11-30;1-2-4-3-5/h3-9,14-15H,10-13,16H2,1-2H3,(H2,24,25,29);3H,2H2,1H3,(H,4,5).

What are the key properties of 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide?

1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide has a molecular weight of 490.61 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide is sourced from PubChem (CID 142995955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).