5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C25H28N8O3S — CID 59829333

About 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 59829333) has the molecular formula C25H28N8O3S and a molecular weight of 520.62 g/mol. Its IUPAC name is 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
• PubChem CID: 59829333
• Molecular Formula: C25H28N8O3S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.20
• IUPAC Name: 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
• SMILES: Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccc(OCCN5CCOCC5)nc4)cc3n2)cn1
• InChI: InChI=1S/C25H28N8O3S/c26-25-28-15-18(16-29-25)23-30-19-13-20(37-22(19)24(31-23)33-6-10-35-11-7-33)17-1-2-21(27-14-17)36-12-5-32-3-8-34-9-4-32/h1-2,13-16H,3-12H2,(H2,26,28,29)
• InChIKey: MTXBGSWXNCHNGU-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 124.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?

The IUPAC name of 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 59829333) is 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4ccc(OCCN5CCOCC5)nc4)cc3n2)cn1.

What is the InChIKey of 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?

The InChIKey is MTXBGSWXNCHNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3S/c26-25-28-15-18(16-29-25)23-30-19-13-20(37-22(19)24(31-23)33-6-10-35-11-7-33)17-1-2-21(27-14-17)36-12-5-32-3-8-34-9-4-32/h1-2,13-16H,3-12H2,(H2,26,28,29).

What are the key properties of 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?

5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 520.62 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 59829333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).