4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one

C8H11N3O3 — CID 54768283

IUPAC4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C[C@@H](O)CO2)c(=O)n1
InChIInChI=1S/C8H11N3O3/c9-6-1-2-11(8(13)10-6)7-3-5(12)4-14-7/h1-2,5,7,12H,3-4H2,(H2,9,10,13)/t5-,7-/m1/s1
InChIKeyRBMLXEFQJQPSGL-IYSWYEEDSA-N
MW197.19 g/mol
LogP-0.89
Rot. Bonds1

About 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 54768283) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
PubChem CID54768283
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2C[C@@H](O)CO2)c(=O)n1
InChIInChI=1S/C8H11N3O3/c9-6-1-2-11(8(13)10-6)7-3-5(12)4-14-7/h1-2,5,7,12H,3-4H2,(H2,9,10,13)/t5-,7-/m1/s1
InChIKeyRBMLXEFQJQPSGL-IYSWYEEDSA-N
XLogP-0.89
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one (CID 54768283) is 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@H]2C[C@@H](O)CO2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is RBMLXEFQJQPSGL-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-6-1-2-11(8(13)10-6)7-3-5(12)4-14-7/h1-2,5,7,12H,3-4H2,(H2,9,10,13)/t5-,7-/m1/s1.
What are the key properties of 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 197.19 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R)-4-hydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 54768283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).