4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one

C9H12FN3O3Se — CID 90683007

IUPAC4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2[Se][C@H](CO)[C@@H](O)[C@@H]2F)c(=O)n1
InChIInChI=1S/C9H12FN3O3Se/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8?/m1/s1
InChIKeyGLESYYOUKBSQNJ-RQFJETTJSA-N
MW308.17 g/mol
LogP-1.48
Rot. Bonds2

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

4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one (PubChem CID 90683007) has the molecular formula C9H12FN3O3Se and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
PubChem CID90683007
Molecular FormulaC9H12FN3O3Se
Molecular Weight308.17 g/mol
Exact Mass309.00
IUPAC Name4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2[Se][C@H](CO)[C@@H](O)[C@@H]2F)c(=O)n1
InChIInChI=1S/C9H12FN3O3Se/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8?/m1/s1
InChIKeyGLESYYOUKBSQNJ-RQFJETTJSA-N
XLogP-1.48
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one (CID 90683007) is 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one is Nc1ccn(C2[Se][C@H](CO)[C@@H](O)[C@@H]2F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The InChIKey is GLESYYOUKBSQNJ-RQFJETTJSA-N. The full InChI is InChI=1S/C9H12FN3O3Se/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8?/m1/s1.
What are the key properties of 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one has a molecular weight of 308.17 g/mol, XLogP of -1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 90683007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).