[(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride

C14H19ClN6O — CID 71312693

About [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride

[(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride (PubChem CID 71312693) has the molecular formula C14H19ClN6O and a molecular weight of 326.82 g/mol. Its IUPAC name is [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride.

Molecular Properties

• Compound Name: [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride
• PubChem CID: 71312693
• Molecular Formula: C14H19ClN6O
• Molecular Weight: 326.82 g/mol
• Exact Mass: 326.16
• IUPAC Name: [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride
• SMILES: Cl.[2H]C1([2H])C(Nc2nc(N)nc3c2ncn3[C@H]2C=C[C@H](CO)C2)C1([2H])[2H]
• InChI: InChI=1S/C14H18N6O.ClH/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1H/t8-,10-;/m0./s1/i2D2,3D2
• InChIKey: QXNOPHSMRJNHHG-CRUONMBASA-N
• XLogP: 1.51
• TPSA: 101.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.82
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride?

The IUPAC name of [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride (CID 71312693) is [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride.

What is the SMILES notation for [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride?

The canonical SMILES for [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride is Cl.[2H]C1([2H])C(Nc2nc(N)nc3c2ncn3[C@H]2C=C[C@H](CO)C2)C1([2H])[2H].

What is the InChIKey of [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride?

The InChIKey is QXNOPHSMRJNHHG-CRUONMBASA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1H/t8-,10-;/m0./s1/i2D2,3D2;.

What are the key properties of [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride?

[(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,4R)-4-[2-amino-6-[(2,2,3,3-tetradeuteriocyclopropyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride is sourced from PubChem (CID 71312693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).