1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide

C22H26N6O2 — CID 122291065

About 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 122291065) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 122291065
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide
• SMILES: COc1ccccc1C1(C(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)CC1
• InChI: InChI=1S/C22H26N6O2/c1-15-26-19(14-20(27-15)28-13-12-23-16(28)2)24-10-11-25-21(29)22(8-9-22)17-6-4-5-7-18(17)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)
• InChIKey: ZBPVKFABEDLCQT-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide (CID 122291065) is 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)CC1.

What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide?

The InChIKey is ZBPVKFABEDLCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-26-19(14-20(27-15)28-13-12-23-16(28)2)24-10-11-25-21(29)22(8-9-22)17-6-4-5-7-18(17)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,25,29)(H,24,26,27).

What are the key properties of 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide?

1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122291065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).