2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C23H26N6OS — CID 133279098

About 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133279098) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 133279098
• Molecular Formula: C23H26N6OS
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.19
• IUPAC Name: 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
• SMILES: CN(C)Cc1nc(Nc2cnn(CC3CCCO3)c2)c2c(-c3ccccc3)csc2n1
• InChI: InChI=1S/C23H26N6OS/c1-28(2)14-20-26-22(25-17-11-24-29(12-17)13-18-9-6-10-30-18)21-19(15-31-23(21)27-20)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,18H,6,9-10,13-14H2,1-2H3,(H,25,26,27)
• InChIKey: DZWINUPSAWIOEE-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133279098) is 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(Nc2cnn(CC3CCCO3)c2)c2c(-c3ccccc3)csc2n1.

What is the InChIKey of 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is DZWINUPSAWIOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-28(2)14-20-26-22(25-17-11-24-29(12-17)13-18-9-6-10-30-18)21-19(15-31-23(21)27-20)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,18H,6,9-10,13-14H2,1-2H3,(H,25,26,27).

What are the key properties of 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 434.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133279098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).