N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide

C24H35N5O — CID 83282334

About N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 83282334) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 83282334
• Molecular Formula: C24H35N5O
• Molecular Weight: 409.58 g/mol
• Exact Mass: 409.28
• IUPAC Name: N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: CCNC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2cccc(C)c2)CC1
• InChI: InChI=1S/C24H35N5O/c1-6-25-24(30)29-12-10-28(11-13-29)23-21(16-20-9-7-8-18(4)15-20)19(5)26-22(27-23)14-17(2)3/h7-9,15,17H,6,10-14,16H2,1-5H3,(H,25,30)
• InChIKey: AQYVFZTYGKGALL-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.58
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 83282334) is N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide is CCNC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2cccc(C)c2)CC1.

What is the InChIKey of N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is AQYVFZTYGKGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-6-25-24(30)29-12-10-28(11-13-29)23-21(16-20-9-7-8-18(4)15-20)19(5)26-22(27-23)14-17(2)3/h7-9,15,17H,6,10-14,16H2,1-5H3,(H,25,30).

What are the key properties of N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide?

N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[6-methyl-5-[(3-methylphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 83282334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).