2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride

C11H16ClN5O2 — CID 45261497

IUPAC2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride
SMILESCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl
InChIInChI=1S/C11H15N5O2.ClH/c1-4-9(17)10(18)7(16-4)5-2-13-8-6(5)14-3-15-11(8)12;/h2-4,7,9-10,13,16-18H,1H3,(H2,12,14,15);1H
InChIKeyXSNZVTSKCZKBLX-UHFFFAOYSA-N
MW285.74 g/mol
LogP-0.28
Rot. Bonds1

About 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride

2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride (PubChem CID 45261497) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride
PubChem CID45261497
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride
SMILESCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl
InChIInChI=1S/C11H15N5O2.ClH/c1-4-9(17)10(18)7(16-4)5-2-13-8-6(5)14-3-15-11(8)12;/h2-4,7,9-10,13,16-18H,1H3,(H2,12,14,15);1H
InChIKeyXSNZVTSKCZKBLX-UHFFFAOYSA-N
XLogP-0.28
TPSA120.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 5-0.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
The IUPAC name of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride (CID 45261497) is 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride.
What is the SMILES notation for 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
The canonical SMILES for 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride is CC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.Cl.
What is the InChIKey of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
The InChIKey is XSNZVTSKCZKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2.ClH/c1-4-9(17)10(18)7(16-4)5-2-13-8-6(5)14-3-15-11(8)12;/h2-4,7,9-10,13,16-18H,1H3,(H2,12,14,15);1H.
What are the key properties of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride?
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride has a molecular weight of 285.74 g/mol, XLogP of -0.28, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidine-3,4-diol;hydrochloride is sourced from PubChem (CID 45261497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).