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

C21H30N4O3S — CID 56569085

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56569085) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 56569085
• Molecular Formula: C21H30N4O3S
• Molecular Weight: 418.56 g/mol
• Exact Mass: 418.20
• IUPAC Name: 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCc1nc(OC)c2c(C)c(C(=O)NC3CCN(CC=C(C)C)CC3)sc2n1
• InChI: InChI=1S/C21H30N4O3S/c1-13(2)6-9-25-10-7-15(8-11-25)22-19(26)18-14(3)17-20(28-5)23-16(12-27-4)24-21(17)29-18/h6,15H,7-12H2,1-5H3,(H,22,26)
• InChIKey: SMJPQRAOAXQSHY-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.56
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 56569085) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NC3CCN(CC=C(C)C)CC3)sc2n1.

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

The InChIKey is SMJPQRAOAXQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-13(2)6-9-25-10-7-15(8-11-25)22-19(26)18-14(3)17-20(28-5)23-16(12-27-4)24-21(17)29-18/h6,15H,7-12H2,1-5H3,(H,22,26).

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

4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56569085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).