5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C23H28N4O3S — CID 45253189

About 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45253189) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 45253189
• Molecular Formula: C23H28N4O3S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.19
• IUPAC Name: 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1ccc(OCCN(C)c2ncnc3sc(C(=O)NCC4CCCO4)c(C)c23)cc1
• InChI: InChI=1S/C23H28N4O3S/c1-15-6-8-17(9-7-15)30-12-10-27(3)21-19-16(2)20(31-23(19)26-14-25-21)22(28)24-13-18-5-4-11-29-18/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,24,28)
• InChIKey: UFUAUBUPOBDEQE-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45253189) is 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(OCCN(C)c2ncnc3sc(C(=O)NCC4CCCO4)c(C)c23)cc1.

What is the InChIKey of 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is UFUAUBUPOBDEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15-6-8-17(9-7-15)30-12-10-27(3)21-19-16(2)20(31-23(19)26-14-25-21)22(28)24-13-18-5-4-11-29-18/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,24,28).

What are the key properties of 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?

5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45253189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).