5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C24H31N7O2S — CID 172539750

About 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172539750) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 172539750
• Molecular Formula: C24H31N7O2S
• Molecular Weight: 481.63 g/mol
• Exact Mass: 481.23
• IUPAC Name: 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCC1(C)CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)ncc4c2N)C3)CC1N
• InChI: InChI=1S/C24H31N7O2S/c1-13-27-9-16-20(26)21(34-23(16)28-13)22(32)29-15-5-6-17-14(8-15)4-7-19(30-17)31-10-18(25)24(2,11-31)12-33-3/h4,7,9,15,18H,5-6,8,10-12,25-26H2,1-3H3,(H,29,32)
• InChIKey: RHKQYQUTTTWZOV-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 132.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.63
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172539750) is 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCC1(C)CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)ncc4c2N)C3)CC1N.

What is the InChIKey of 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is RHKQYQUTTTWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-13-27-9-16-20(26)21(34-23(16)28-13)22(32)29-15-5-6-17-14(8-15)4-7-19(30-17)31-10-18(25)24(2,11-31)12-33-3/h4,7,9,15,18H,5-6,8,10-12,25-26H2,1-3H3,(H,29,32).

What are the key properties of 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 481.63 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[4-amino-3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172539750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).