1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

C14H18N2O6 — CID 118461754

IUPAC1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O6/c1-4-7-21-12-11(20-3)9(8-19-2)22-13(12)16-6-5-10(17)15-14(16)18/h1,5-6,9,11-13H,7-8H2,2-3H3,(H,15,17,18)/t9-,11?,12+,13-/m1/s1
InChIKeyVKAFQUZMXCKMFE-KLBFZIACSA-N
MW310.31 g/mol
LogP-0.89
Rot. Bonds6

About 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 118461754) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID118461754
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O6/c1-4-7-21-12-11(20-3)9(8-19-2)22-13(12)16-6-5-10(17)15-14(16)18/h1,5-6,9,11-13H,7-8H2,2-3H3,(H,15,17,18)/t9-,11?,12+,13-/m1/s1
InChIKeyVKAFQUZMXCKMFE-KLBFZIACSA-N
XLogP-0.89
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174082533
1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461488
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[3-prop-2-ynoxy-5-(tetradecan-7-yloxymethyl)-4-tridecan-6-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 134223463
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-[(prop-2-ynylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174150751
1-[(2S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 69009867
1-[(2R,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70956068
1-[(2R,4S,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953345
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 118461754) is 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione is C#CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is VKAFQUZMXCKMFE-KLBFZIACSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-4-7-21-12-11(20-3)9(8-19-2)22-13(12)16-6-5-10(17)15-14(16)18/h1,5-6,9,11-13H,7-8H2,2-3H3,(H,15,17,18)/t9-,11?,12+,13-/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 310.31 g/mol, XLogP of -0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 118461754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).