(2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C18H23N7O4 — CID 67923149

About (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67923149) has the molecular formula C18H23N7O4 and a molecular weight of 401.43 g/mol. Its IUPAC name is (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• PubChem CID: 67923149
• Molecular Formula: C18H23N7O4
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.18
• IUPAC Name: (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• SMILES: CC(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1)c1ccccn1
• InChI: InChI=1S/C18H23N7O4/c1-9(10-4-2-3-5-20-10)6-21-18-23-15(19)12-16(24-18)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h2-5,8-9,11,13-14,17,26-28H,6-7H2,1H3,(H3,19,21,23,24)/t9?,11-,13?,14?,17-/m1/s1
• InChIKey: ULTTXENLBVMCOR-UIQJNKLUSA-N
• XLogP: -0.37
• TPSA: 164.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The IUPAC name of (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 67923149) is (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

What is the SMILES notation for (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The canonical SMILES for (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is CC(CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1)c1ccccn1.

What is the InChIKey of (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

The InChIKey is ULTTXENLBVMCOR-UIQJNKLUSA-N. The full InChI is InChI=1S/C18H23N7O4/c1-9(10-4-2-3-5-20-10)6-21-18-23-15(19)12-16(24-18)25(8-22-12)17-14(28)13(27)11(7-26)29-17/h2-5,8-9,11,13-14,17,26-28H,6-7H2,1H3,(H3,19,21,23,24)/t9?,11-,13?,14?,17-/m1/s1.

What are the key properties of (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?

(2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 401.43 g/mol, XLogP of -0.37, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-[6-amino-2-(2-pyridin-2-ylpropylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67923149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).