4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

C19H22N6O2 — CID 136636702

About 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 136636702) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
• PubChem CID: 136636702
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(N(C)C)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1
• InChI: InChI=1S/C19H22N6O2/c1-11-10-16(21-18(27)14-6-8-15(9-7-14)24(4)5)25(23-11)19-20-13(3)12(2)17(26)22-19/h6-10H,1-5H3,(H,21,27)(H,20,22,26)
• InChIKey: SIMJQPUUCUNKJL-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 136636702) is 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(N(C)C)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1.

What is the InChIKey of 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?

The InChIKey is SIMJQPUUCUNKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-10-16(21-18(27)14-6-8-15(9-7-14)24(4)5)25(23-11)19-20-13(3)12(2)17(26)22-19/h6-10H,1-5H3,(H,21,27)(H,20,22,26).

What are the key properties of 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?

4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 366.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 136636702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).