4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide

C20H28N6O — CID 118774297

About 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide

4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide (PubChem CID 118774297) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide
• PubChem CID: 118774297
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide
• SMILES: Cc1cccnc1CC(C)NC(=O)c1cnc(N2CCN(C)CC2)nc1C
• InChI: InChI=1S/C20H28N6O/c1-14-6-5-7-21-18(14)12-15(2)23-19(27)17-13-22-20(24-16(17)3)26-10-8-25(4)9-11-26/h5-7,13,15H,8-12H2,1-4H3,(H,23,27)
• InChIKey: CJLHZADWCMYCCI-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide?

The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide (CID 118774297) is 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide?

The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide is Cc1cccnc1CC(C)NC(=O)c1cnc(N2CCN(C)CC2)nc1C.

What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide?

The InChIKey is CJLHZADWCMYCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14-6-5-7-21-18(14)12-15(2)23-19(27)17-13-22-20(24-16(17)3)26-10-8-25(4)9-11-26/h5-7,13,15H,8-12H2,1-4H3,(H,23,27).

What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide?

4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 118774297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).