N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C17H20N6O2S — CID 72912876

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72912876) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 72912876
• Molecular Formula: C17H20N6O2S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.14
• IUPAC Name: N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
• SMILES: Cc1cc(C)n(CC(C)NC(=O)c2cnc(-c3csc(C)n3)[nH]c2=O)n1
• InChI: InChI=1S/C17H20N6O2S/c1-9-5-11(3)23(22-9)7-10(2)19-16(24)13-6-18-15(21-17(13)25)14-8-26-12(4)20-14/h5-6,8,10H,7H2,1-4H3,(H,19,24)(H,18,21,25)
• InChIKey: IQWBDTWOWKDHMX-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 72912876) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cc(C)n(CC(C)NC(=O)c2cnc(-c3csc(C)n3)[nH]c2=O)n1.

What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

The InChIKey is IQWBDTWOWKDHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-9-5-11(3)23(22-9)7-10(2)19-16(24)13-6-18-15(21-17(13)25)14-8-26-12(4)20-14/h5-6,8,10H,7H2,1-4H3,(H,19,24)(H,18,21,25).

What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72912876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).