[3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane

C25H37N7OS — CID 164601320

About [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane

[3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane (PubChem CID 164601320) has the molecular formula C25H37N7OS and a molecular weight of 483.69 g/mol. Its IUPAC name is [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane.

Molecular Properties

• Compound Name: [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane
• PubChem CID: 164601320
• Molecular Formula: C25H37N7OS
• Molecular Weight: 483.69 g/mol
• Exact Mass: 483.28
• IUPAC Name: [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane
• SMILES: CC.Cc1c(/C(N)=C/C=N/C(C)C)sc2nc(-c3nccn3C)nc(NC3CCC(CO)C3)c12
• InChI: InChI=1S/C23H31N7OS.C2H6/c1-13(2)25-8-7-17(24)19-14(3)18-20(27-16-6-5-15(11-16)12-31)28-21(29-23(18)32-19)22-26-9-10-30(22)4;1-2/h7-10,13,15-16,31H,5-6,11-12,24H2,1-4H3,(H,27,28,29);1-2H3/b17-7-,25-8+
• InChIKey: CVAZMGDRZFLWKL-FYLIJVDSSA-N
• XLogP: 4.78
• TPSA: 114.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.69
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane?

The IUPAC name of [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane (CID 164601320) is [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane.

What is the SMILES notation for [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane?

The canonical SMILES for [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane is CC.Cc1c(/C(N)=C/C=N/C(C)C)sc2nc(-c3nccn3C)nc(NC3CCC(CO)C3)c12.

What is the InChIKey of [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane?

The InChIKey is CVAZMGDRZFLWKL-FYLIJVDSSA-N. The full InChI is InChI=1S/C23H31N7OS.C2H6/c1-13(2)25-8-7-17(24)19-14(3)18-20(27-16-6-5-15(11-16)12-31)28-21(29-23(18)32-19)22-26-9-10-30(22)4;1-2/h7-10,13,15-16,31H,5-6,11-12,24H2,1-4H3,(H,27,28,29);1-2H3/b17-7-,25-8+;.

What are the key properties of [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane?

[3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane has a molecular weight of 483.69 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[6-[(Z)-1-amino-3-propan-2-yliminoprop-1-enyl]-5-methyl-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]methanol;ethane is sourced from PubChem (CID 164601320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).