(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C17H20N6O3 — CID 118729811

IUPAC(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C17H20N6O3/c18-17-20-6-10(12-7-19-13-3-1-2-4-23(12)13)16(22-17)21-11-5-9(8-24)14(25)15(11)26/h1-4,6-7,9,11,14-15,24-26H,5,8H2,(H3,18,20,21,22)/t9-,11-,14-,15+/m1/s1
InChIKeyMMVPIJIALAKMAL-VGKMCQHDSA-N
MW356.39 g/mol
LogP-0.11
Rot. Bonds4

About (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 118729811) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID118729811
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESNc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C17H20N6O3/c18-17-20-6-10(12-7-19-13-3-1-2-4-23(12)13)16(22-17)21-11-5-9(8-24)14(25)15(11)26/h1-4,6-7,9,11,14-15,24-26H,5,8H2,(H3,18,20,21,22)/t9-,11-,14-,15+/m1/s1
InChIKeyMMVPIJIALAKMAL-VGKMCQHDSA-N
XLogP-0.11
TPSA141.82 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 118729811) is (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Nc1ncc(-c2cnc3ccccn23)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is MMVPIJIALAKMAL-VGKMCQHDSA-N. The full InChI is InChI=1S/C17H20N6O3/c18-17-20-6-10(12-7-19-13-3-1-2-4-23(12)13)16(22-17)21-11-5-9(8-24)14(25)15(11)26/h1-4,6-7,9,11,14-15,24-26H,5,8H2,(H3,18,20,21,22)/t9-,11-,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 356.39 g/mol, XLogP of -0.11, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(2-amino-5-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 118729811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).