(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol

C21H24N6O3S — CID 71156805

About (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol

(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol (PubChem CID 71156805) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
• PubChem CID: 71156805
• Molecular Formula: C21H24N6O3S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.16
• IUPAC Name: (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
• SMILES: C[C@](O)(NCCO)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
• InChI: InChI=1S/C21H24N6O3S/c1-21(29,22-5-8-28)17-11-16-18(31-17)20(27-6-9-30-10-7-27)25-19(24-16)13-3-2-4-15-14(13)12-23-26-15/h2-4,11-12,22,28-29H,5-10H2,1H3,(H,23,26)/t21-/m1/s1
• InChIKey: LWVUMNXIEAJNDK-OAQYLSRUSA-N
• XLogP: 1.82
• TPSA: 119.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?

The IUPAC name of (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol (CID 71156805) is (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol.

What is the SMILES notation for (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?

The canonical SMILES for (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol is C[C@](O)(NCCO)c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.

What is the InChIKey of (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?

The InChIKey is LWVUMNXIEAJNDK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N6O3S/c1-21(29,22-5-8-28)17-11-16-18(31-17)20(27-6-9-30-10-7-27)25-19(24-16)13-3-2-4-15-14(13)12-23-26-15/h2-4,11-12,22,28-29H,5-10H2,1H3,(H,23,26)/t21-/m1/s1.

What are the key properties of (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol?

(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol has a molecular weight of 440.53 g/mol, XLogP of 1.82, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol is sourced from PubChem (CID 71156805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).