4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one

C15H16N6O4S — CID 44818515

IUPAC4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one
SMILESNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1cn(-c2ccsc2)nn1
InChIInChI=1S/C15H16N6O4S/c16-14-9(10-5-21(19-18-10)8-1-2-26-7-8)4-20(15(24)17-14)13-3-11(23)12(6-22)25-13/h1-2,4-5,7,11-13,22-23H,3,6H2,(H2,16,17,24)/t11-,12+,13+/m0/s1
InChIKeyLBRNNTKTTGYOHC-YNEHKIRRSA-N
MW376.40 g/mol
LogP-0.22
Rot. Bonds4

About 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one (PubChem CID 44818515) has the molecular formula C15H16N6O4S and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one
PubChem CID44818515
Molecular FormulaC15H16N6O4S
Molecular Weight376.40 g/mol
Exact Mass376.10
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one
SMILESNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1cn(-c2ccsc2)nn1
InChIInChI=1S/C15H16N6O4S/c16-14-9(10-5-21(19-18-10)8-1-2-26-7-8)4-20(15(24)17-14)13-3-11(23)12(6-22)25-13/h1-2,4-5,7,11-13,22-23H,3,6H2,(H2,16,17,24)/t11-,12+,13+/m0/s1
InChIKeyLBRNNTKTTGYOHC-YNEHKIRRSA-N
XLogP-0.22
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-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

Related Compounds

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrimidin-2-one
CID 5274168
4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 139061383
4-amino-5-(1H-azepin-2-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174652900
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylic acid
CID 23112726
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 57123438
5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[1-(4-propan-2-ylphenyl)triazol-4-yl]pyrimidine-2,4-dione
CID 71589749
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 56612070
4-amino-5-(2-chloroethenyl)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 87921528

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one (CID 44818515) is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one is Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1cn(-c2ccsc2)nn1.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one?
The InChIKey is LBRNNTKTTGYOHC-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H16N6O4S/c16-14-9(10-5-21(19-18-10)8-1-2-26-7-8)4-20(15(24)17-14)13-3-11(23)12(6-22)25-13/h1-2,4-5,7,11-13,22-23H,3,6H2,(H2,16,17,24)/t11-,12+,13+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one?
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one has a molecular weight of 376.40 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-thiophen-3-yltriazol-4-yl)pyrimidin-2-one is sourced from PubChem (CID 44818515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).