N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

C24H36N6O2 — CID 55457720

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 55457720) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
• PubChem CID: 55457720
• Molecular Formula: C24H36N6O2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.29
• IUPAC Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
• SMILES: COc1cccc(C(CNC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)N(C)C)c1
• InChI: InChI=1S/C24H36N6O2/c1-17(2)23-26-18(3)14-22(27-23)29-10-12-30(13-11-29)24(31)25-16-21(28(4)5)19-8-7-9-20(15-19)32-6/h7-9,14-15,17,21H,10-13,16H2,1-6H3,(H,25,31)
• InChIKey: PMSPWQRHHSGDPO-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 73.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 55457720) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is COc1cccc(C(CNC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)N(C)C)c1.

What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The InChIKey is PMSPWQRHHSGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-17(2)23-26-18(3)14-22(27-23)29-10-12-30(13-11-29)24(31)25-16-21(28(4)5)19-8-7-9-20(15-19)32-6/h7-9,14-15,17,21H,10-13,16H2,1-6H3,(H,25,31).

What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 55457720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).