1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol

C24H36N4O — CID 42844428

About 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol

1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol (PubChem CID 42844428) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol
• PubChem CID: 42844428
• Molecular Formula: C24H36N4O
• Molecular Weight: 396.58 g/mol
• Exact Mass: 396.29
• IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol
• SMILES: CCc1nc(C)nc(N2CCN(CC(O)C(C)C)CC2)c1Cc1cccc(C)c1
• InChI: InChI=1S/C24H36N4O/c1-6-22-21(15-20-9-7-8-18(4)14-20)24(26-19(5)25-22)28-12-10-27(11-13-28)16-23(29)17(2)3/h7-9,14,17,23,29H,6,10-13,15-16H2,1-5H3
• InChIKey: WZXSLINBXNWHLG-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.58
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol?

The IUPAC name of 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol (CID 42844428) is 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol.

What is the SMILES notation for 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol?

The canonical SMILES for 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol is CCc1nc(C)nc(N2CCN(CC(O)C(C)C)CC2)c1Cc1cccc(C)c1.

What is the InChIKey of 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol?

The InChIKey is WZXSLINBXNWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-6-22-21(15-20-9-7-8-18(4)14-20)24(26-19(5)25-22)28-12-10-27(11-13-28)16-23(29)17(2)3/h7-9,14,17,23,29H,6,10-13,15-16H2,1-5H3.

What are the key properties of 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol?

1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol has a molecular weight of 396.58 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-ethyl-2-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 42844428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).