1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C20H21N5OS — CID 75422132

About 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 75422132) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
• PubChem CID: 75422132
• Molecular Formula: C20H21N5OS
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.15
• IUPAC Name: 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
• SMILES: Cc1nc(NCC(C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1
• InChI: InChI=1S/C20H21N5OS/c1-13-23-18(21-12-20(2,26)15-9-22-25(3)10-15)17-16(11-27-19(17)24-13)14-7-5-4-6-8-14/h4-11,26H,12H2,1-3H3,(H,21,23,24)
• InChIKey: IBCDFZXDCNUNMB-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?

The IUPAC name of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 75422132) is 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

What is the SMILES notation for 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?

The canonical SMILES for 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1nc(NCC(C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1.

What is the InChIKey of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?

The InChIKey is IBCDFZXDCNUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-23-18(21-12-20(2,26)15-9-22-25(3)10-15)17-16(11-27-19(17)24-13)14-7-5-4-6-8-14/h4-11,26H,12H2,1-3H3,(H,21,23,24).

What are the key properties of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?

1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 379.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 75422132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).