4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

C24H27N5O3S — CID 55721609

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55721609) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 55721609
• Molecular Formula: C24H27N5O3S
• Molecular Weight: 465.58 g/mol
• Exact Mass: 465.18
• IUPAC Name: 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCc1nc(OC)c2c(C)c(C(=O)NCCCc3cn(-c4ccccc4)nc3C)sc2n1
• InChI: InChI=1S/C24H27N5O3S/c1-15-20-23(32-4)26-19(14-31-3)27-24(20)33-21(15)22(30)25-12-8-9-17-13-29(28-16(17)2)18-10-6-5-7-11-18/h5-7,10-11,13H,8-9,12,14H2,1-4H3,(H,25,30)
• InChIKey: PMFXFZJMSJSEKE-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.58
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55721609) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCCCc3cn(-c4ccccc4)nc3C)sc2n1.

What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is PMFXFZJMSJSEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-15-20-23(32-4)26-19(14-31-3)27-24(20)33-21(15)22(30)25-12-8-9-17-13-29(28-16(17)2)18-10-6-5-7-11-18/h5-7,10-11,13H,8-9,12,14H2,1-4H3,(H,25,30).

What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?

4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55721609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).