4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine

C28H29N7OS — CID 53258282

About 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine

4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine (PubChem CID 53258282) has the molecular formula C28H29N7OS and a molecular weight of 511.66 g/mol. Its IUPAC name is 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine
• PubChem CID: 53258282
• Molecular Formula: C28H29N7OS
• Molecular Weight: 511.66 g/mol
• Exact Mass: 511.22
• IUPAC Name: 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine
• SMILES: CNc1nccc(-c2cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c3cc(OC)ccc3c2)n1
• InChI: InChI=1S/C28H29N7OS/c1-17-15-37-26-25(17)31-16-32-27(26)35-10-7-20(8-11-35)33-24-13-19(23-6-9-30-28(29-2)34-23)12-18-4-5-21(36-3)14-22(18)24/h4-6,9,12-16,20,33H,7-8,10-11H2,1-3H3,(H,29,30,34)
• InChIKey: CQFQIEFICNUBHL-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 88.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.66
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine?

The IUPAC name of 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine (CID 53258282) is 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine.

What is the SMILES notation for 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine?

The canonical SMILES for 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c3cc(OC)ccc3c2)n1.

What is the InChIKey of 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine?

The InChIKey is CQFQIEFICNUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7OS/c1-17-15-37-26-25(17)31-16-32-27(26)35-10-7-20(8-11-35)33-24-13-19(23-6-9-30-28(29-2)34-23)12-18-4-5-21(36-3)14-22(18)24/h4-6,9,12-16,20,33H,7-8,10-11H2,1-3H3,(H,29,30,34).

What are the key properties of 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine?

4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine has a molecular weight of 511.66 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 53258282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).