tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate

C19H25N7O2S — CID 150451383

About tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 150451383) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate
• PubChem CID: 150451383
• Molecular Formula: C19H25N7O2S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.18
• IUPAC Name: tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate
• SMILES: Cc1cc(Nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)nc3sccc23)n[nH]1
• InChI: InChI=1S/C19H25N7O2S/c1-12-11-14(24-23-12)20-15-13-5-10-29-16(13)22-17(21-15)25-6-8-26(9-7-25)18(27)28-19(2,3)4/h5,10-11H,6-9H2,1-4H3,(H2,20,21,22,23,24)
• InChIKey: HNWJVVDSHKSZDA-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate (CID 150451383) is tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate is Cc1cc(Nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)nc3sccc23)n[nH]1.

What is the InChIKey of tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate?

The InChIKey is HNWJVVDSHKSZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-12-11-14(24-23-12)20-15-13-5-10-29-16(13)22-17(21-15)25-6-8-26(9-7-25)18(27)28-19(2,3)4/h5,10-11H,6-9H2,1-4H3,(H2,20,21,22,23,24).

What are the key properties of tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate?

tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 415.52 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 150451383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).