6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C33H29N5O6 — CID 73212511

About 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 73212511) has the molecular formula C33H29N5O6 and a molecular weight of 591.62 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 73212511
• Molecular Formula: C33H29N5O6
• Molecular Weight: 591.62 g/mol
• Exact Mass: 591.21
• IUPAC Name: 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: COc1ccc(-c2nn(-c3ccccc3)cc2C(c2c(O)c3cc(C)ccc3oc2=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
• InChI: InChI=1S/C33H29N5O6/c1-18-10-15-24-22(16-18)29(39)26(32(41)44-24)25(27-30(34)36(2)33(42)37(3)31(27)40)23-17-38(20-8-6-5-7-9-20)35-28(23)19-11-13-21(43-4)14-12-19/h5-17,25,39H,34H2,1-4H3
• InChIKey: RPVJWGFYQDMLQG-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 147.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.62
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?

The IUPAC name of 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 73212511) is 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(-c2nn(-c3ccccc3)cc2C(c2c(O)c3cc(C)ccc3oc2=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1.

What is the InChIKey of 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?

The InChIKey is RPVJWGFYQDMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O6/c1-18-10-15-24-22(16-18)29(39)26(32(41)44-24)25(27-30(34)36(2)33(42)37(3)31(27)40)23-17-38(20-8-6-5-7-9-20)35-28(23)19-11-13-21(43-4)14-12-19/h5-17,25,39H,34H2,1-4H3.

What are the key properties of 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?

6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 591.62 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[(4-hydroxy-6-methyl-2-oxochromen-3-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 73212511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).