5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C25H33N7O2S — CID 172539870

About 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172539870) has the molecular formula C25H33N7O2S and a molecular weight of 495.65 g/mol. Its IUPAC name is 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 172539870
• Molecular Formula: C25H33N7O2S
• Molecular Weight: 495.65 g/mol
• Exact Mass: 495.24
• IUPAC Name: 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCOCC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)nc(C)c4c2N)C3)CC1N
• InChI: InChI=1S/C25H33N7O2S/c1-4-34-12-16-10-32(11-18(16)26)20-8-5-15-9-17(6-7-19(15)31-20)30-24(33)23-22(27)21-13(2)28-14(3)29-25(21)35-23/h5,8,16-18H,4,6-7,9-12,26-27H2,1-3H3,(H,30,33)
• InChIKey: QFVBPWVSGKCGBZ-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 132.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.65
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172539870) is 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCOCC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)nc(C)c4c2N)C3)CC1N.

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

The InChIKey is QFVBPWVSGKCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2S/c1-4-34-12-16-10-32(11-18(16)26)20-8-5-15-9-17(6-7-19(15)31-20)30-24(33)23-22(27)21-13(2)28-14(3)29-25(21)35-23/h5,8,16-18H,4,6-7,9-12,26-27H2,1-3H3,(H,30,33).

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

5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172539870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).