6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione

C15H16N4O4S — CID 136805097

About 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione

6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione (PubChem CID 136805097) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
• PubChem CID: 136805097
• Molecular Formula: C15H16N4O4S
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.09
• IUPAC Name: 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
• SMILES: CCC(=O)N1N=C(c2c(O)n(C)c(=O)[nH]c2=O)C[C@H]1c1cccs1
• InChI: InChI=1S/C15H16N4O4S/c1-3-11(20)19-9(10-5-4-6-24-10)7-8(17-19)12-13(21)16-15(23)18(2)14(12)22/h4-6,9,22H,3,7H2,1-2H3,(H,16,21,23)/t9-/m0/s1
• InChIKey: KWVVUWHYWWBBFZ-VIFPVBQESA-N
• XLogP: 0.93
• TPSA: 107.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?

The IUPAC name of 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione (CID 136805097) is 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?

The canonical SMILES for 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione is CCC(=O)N1N=C(c2c(O)n(C)c(=O)[nH]c2=O)C[C@H]1c1cccs1.

What is the InChIKey of 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?

The InChIKey is KWVVUWHYWWBBFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-3-11(20)19-9(10-5-4-6-24-10)7-8(17-19)12-13(21)16-15(23)18(2)14(12)22/h4-6,9,22H,3,7H2,1-2H3,(H,16,21,23)/t9-/m0/s1.

What are the key properties of 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?

6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione has a molecular weight of 348.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 136805097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).