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

C13H19N5O2 — CID 10171596

IUPAC2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol
SMILESCCCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O
InChIInChI=1S/C13H19N5O2/c1-2-3-7-11(19)12(20)9(18-7)6-4-15-10-8(6)16-5-17-13(10)14/h4-5,7,9,11-12,15,18-20H,2-3H2,1H3,(H2,14,16,17)
InChIKeyKAASNRXINDZWHU-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.07
Rot. Bonds3

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

2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol (PubChem CID 10171596) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol
PubChem CID10171596
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol
SMILESCCCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O
InChIInChI=1S/C13H19N5O2/c1-2-3-7-11(19)12(20)9(18-7)6-4-15-10-8(6)16-5-17-13(10)14/h4-5,7,9,11-12,15,18-20H,2-3H2,1H3,(H2,14,16,17)
InChIKeyKAASNRXINDZWHU-UHFFFAOYSA-N
XLogP0.07
TPSA120.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.07
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-propylpyrrolidine-3,4-diol?
The IUPAC name of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol (CID 10171596) is 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol.
What is the SMILES notation for 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol?
The canonical SMILES for 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol is CCCC1NC(c2c[nH]c3c(N)ncnc23)C(O)C1O.
What is the InChIKey of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol?
The InChIKey is KAASNRXINDZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-3-7-11(19)12(20)9(18-7)6-4-15-10-8(6)16-5-17-13(10)14/h4-5,7,9,11-12,15,18-20H,2-3H2,1H3,(H2,14,16,17).
What are the key properties of 2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol?
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol has a molecular weight of 277.33 g/mol, XLogP of 0.07, 3 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-propylpyrrolidine-3,4-diol is sourced from PubChem (CID 10171596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).