1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

C18H26N2O6 — CID 118461488

IUPAC1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#CCO[C@H]1C(OC(C)C)[C@@H](COC(C)C)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H26N2O6/c1-6-9-23-16-15(25-12(4)5)13(10-24-11(2)3)26-17(16)20-8-7-14(21)19-18(20)22/h1,7-8,11-13,15-17H,9-10H2,2-5H3,(H,19,21,22)/t13-,15?,16+,17-/m1/s1
InChIKeyCWENACZNIGMDRW-NHFRXMKASA-N
MW366.41 g/mol
LogP0.67
Rot. Bonds8

About 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 118461488) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID118461488
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESC#CCO[C@H]1C(OC(C)C)[C@@H](COC(C)C)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H26N2O6/c1-6-9-23-16-15(25-12(4)5)13(10-24-11(2)3)26-17(16)20-8-7-14(21)19-18(20)22/h1,7-8,11-13,15-17H,9-10H2,2-5H3,(H,19,21,22)/t13-,15?,16+,17-/m1/s1
InChIKeyCWENACZNIGMDRW-NHFRXMKASA-N
XLogP0.67
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 50.67
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-[3-prop-2-ynoxy-5-(tetradecan-7-yloxymethyl)-4-tridecan-6-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 134223463
1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461754
1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174082533
1-[(2R,5R)-5-ethyl-3-methoxy-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174076442
1-[(2S,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 167095243
1-[(2R,3R,4R,5R)-3-fluoro-5-(methylsulfonylmethoxymethyl)-4-propan-2-yloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164965705
2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]-N-methylethanesulfonamide
CID 164788422
5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67126278
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 12896719
CID 88572292
CID 88572292
1-[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71500431
1-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-[(prop-2-ynylamino)methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174150751

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 118461488) is 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione is C#CCO[C@H]1C(OC(C)C)[C@@H](COC(C)C)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is CWENACZNIGMDRW-NHFRXMKASA-N. The full InChI is InChI=1S/C18H26N2O6/c1-6-9-23-16-15(25-12(4)5)13(10-24-11(2)3)26-17(16)20-8-7-14(21)19-18(20)22/h1,7-8,11-13,15-17H,9-10H2,2-5H3,(H,19,21,22)/t13-,15?,16+,17-/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 366.41 g/mol, XLogP of 0.67, 8 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-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 118461488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).