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

C9H13N3O2Se — CID 138115461

IUPAC4-amino-1-[(2R,5R)-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-/m1/s1
InChIKeyMGDLOMKNFCDRTA-HTRCEHHLSA-N
MW274.18 g/mol
LogP-0.40
Rot. Bonds2

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

4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one (PubChem CID 138115461) has the molecular formula C9H13N3O2Se and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
PubChem CID138115461
Molecular FormulaC9H13N3O2Se
Molecular Weight274.18 g/mol
Exact Mass275.02
IUPAC Name4-amino-1-[(2R,5R)-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-/m1/s1
InChIKeyMGDLOMKNFCDRTA-HTRCEHHLSA-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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Related Compounds

4-amino-1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 44249635
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 90683007
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 44247802
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 90683008
4-amino-1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 25147786
4'-Selenocytidine
CID 46218910
4-Amino-1-(3,5-dihydroxypentyl)pyrimidin-2-one
CID 452404
4-amino-1-[[(1S,2R)-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 479230
4-amino-1-[(3S)-3,5-dihydroxypentyl]pyrimidin-2-one
CID 503409
4-amino-1-[(2S,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 138115463
4-Amino-1-(2,2,3,3,4,4-hexafluoro-5-hydroxy-pentyl)pyrimidin-2-one
CID 129909670
4-amino-1-[(2S,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one
CID 139266610

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one (CID 138115461) is 4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-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,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
The InChIKey is MGDLOMKNFCDRTA-HTRCEHHLSA-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-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-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,5R)-5-(hydroxymethyl)selenolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 138115461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).