5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C23H23N5S — CID 55570703

About 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55570703) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 55570703
• Molecular Formula: C23H23N5S
• Molecular Weight: 401.54 g/mol
• Exact Mass: 401.17
• IUPAC Name: 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1ccc(-c2csc3ncnc(NCc4ccc(N5CCCC5)nc4)c23)cc1
• InChI: InChI=1S/C23H23N5S/c1-16-4-7-18(8-5-16)19-14-29-23-21(19)22(26-15-27-23)25-13-17-6-9-20(24-12-17)28-10-2-3-11-28/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,25,26,27)
• InChIKey: CYKMTHONLPOHMO-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 53.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.54
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 55570703) is 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3ncnc(NCc4ccc(N5CCCC5)nc4)c23)cc1.

What is the InChIKey of 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is CYKMTHONLPOHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-16-4-7-18(8-5-16)19-14-29-23-21(19)22(26-15-27-23)25-13-17-6-9-20(24-12-17)28-10-2-3-11-28/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,25,26,27).

What are the key properties of 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?

5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 401.54 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55570703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).