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

C9H13N3O2Se — CID 25147786

IUPAC4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2CC[C@@H](CO)[Se]2)c(=O)n1
InChIInChI=1S/C9H13N3O2Se/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChIKeyMGDLOMKNFCDRTA-POYBYMJQSA-N
MW274.18 g/mol
LogP-0.40
Rot. Bonds2

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

4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one (PubChem CID 25147786) has the molecular formula C9H13N3O2Se and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
PubChem CID25147786
Molecular FormulaC9H13N3O2Se
Molecular Weight274.18 g/mol
Exact Mass275.02
IUPAC Name4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2CC[C@@H](CO)[Se]2)c(=O)n1
InChIInChI=1S/C9H13N3O2Se/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChIKeyMGDLOMKNFCDRTA-POYBYMJQSA-N
XLogP-0.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one (CID 25147786) is 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one is Nc1ccn([C@H]2CC[C@@H](CO)[Se]2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The InChIKey is MGDLOMKNFCDRTA-POYBYMJQSA-N. The full InChI is InChI=1S/C9H13N3O2Se/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1.
What are the key properties of 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one has a molecular weight of 274.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 25147786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).