(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

C15H16N4O3 — CID 101366468

IUPAC(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncc2ccc3c(ccn3[C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C15H16N4O3/c16-15-17-6-8-1-2-10-9(14(8)18-15)3-4-19(10)13-5-11(21)12(7-20)22-13/h1-4,6,11-13,20-21H,5,7H2,(H2,16,17,18)/t11-,12+,13+/m0/s1
InChIKeyLUGRUDZVOVYBFE-YNEHKIRRSA-N
MW300.32 g/mol
LogP0.81
Rot. Bonds2

About (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 101366468) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID101366468
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncc2ccc3c(ccn3[C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
InChIInChI=1S/C15H16N4O3/c16-15-17-6-8-1-2-10-9(14(8)18-15)3-4-19(10)13-5-11(21)12(7-20)22-13/h1-4,6,11-13,20-21H,5,7H2,(H2,16,17,18)/t11-,12+,13+/m0/s1
InChIKeyLUGRUDZVOVYBFE-YNEHKIRRSA-N
XLogP0.81
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
bis(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);aminophosphonous acid
CID 67722421
5-(2-amino-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;7-(5-ethyl-4-methyloxolan-2-yl)-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-2-amine
CID 90920522
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitroindol-1-yl)oxolan-3-ol
CID 14081551
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid
CID 53241413
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 101366468) is (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1ncc2ccc3c(ccn3[C@H]3C[C@H](O)[C@@H](CO)O3)c2n1.
What is the InChIKey of (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is LUGRUDZVOVYBFE-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-15-17-6-8-1-2-10-9(14(8)18-15)3-4-19(10)13-5-11(21)12(7-20)22-13/h1-4,6,11-13,20-21H,5,7H2,(H2,16,17,18)/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 300.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 101366468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).