1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione

C11H15N3O5 — CID 143809467

IUPAC1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESC#C[C@H](O)[C@@](N)(CO)O[C@H](C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-8(16)11(12,6-15)19-7(2)14-5-4-9(17)13-10(14)18/h1,4-5,7-8,15-16H,6,12H2,2H3,(H,13,17,18)/t7-,8+,11-/m1/s1
InChIKeyLAGVHLGDNCOVKC-VHSKPIJISA-N
MW269.26 g/mol
LogP-2.29
Rot. Bonds5

About 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione

1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 143809467) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID143809467
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESC#C[C@H](O)[C@@](N)(CO)O[C@H](C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-8(16)11(12,6-15)19-7(2)14-5-4-9(17)13-10(14)18/h1,4-5,7-8,15-16H,6,12H2,2H3,(H,13,17,18)/t7-,8+,11-/m1/s1
InChIKeyLAGVHLGDNCOVKC-VHSKPIJISA-N
XLogP-2.29
TPSA130.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 6991759
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
CID 118667648
[(3R)-3-acetyloxy-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluoro-2-(fluoromethyl)butyl] acetate
CID 134251432
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
(2S)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]-2-(hydroxymethyl)-3-methoxypropanal
CID 130311727
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[1-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione (CID 143809467) is 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione is C#C[C@H](O)[C@@](N)(CO)O[C@H](C)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is LAGVHLGDNCOVKC-VHSKPIJISA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-8(16)11(12,6-15)19-7(2)14-5-4-9(17)13-10(14)18/h1,4-5,7-8,15-16H,6,12H2,2H3,(H,13,17,18)/t7-,8+,11-/m1/s1.
What are the key properties of 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione?
1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 269.26 g/mol, XLogP of -2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2R,3S)-2-amino-1,3-dihydroxypent-4-yn-2-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 143809467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).