5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C15H23BrN2O6 — CID 67126278

IUPAC5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C(O)[C@H]1OC(C)C
InChIInChI=1S/C15H23BrN2O6/c1-7(2)22-6-10-12(23-8(3)4)11(19)14(24-10)18-5-9(16)13(20)17-15(18)21/h5,7-8,10-12,14,19H,6H2,1-4H3,(H,17,20,21)/t10-,11?,12+,14-/m1/s1
InChIKeyPHYWDZSTISVIAM-VFJKSUPXSA-N
MW407.26 g/mol
LogP0.78
Rot. Bonds6

About 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 67126278) has the molecular formula C15H23BrN2O6 and a molecular weight of 407.26 g/mol. Its IUPAC name is 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID67126278
Molecular FormulaC15H23BrN2O6
Molecular Weight407.26 g/mol
Exact Mass406.07
IUPAC Name5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C(O)[C@H]1OC(C)C
InChIInChI=1S/C15H23BrN2O6/c1-7(2)22-6-10-12(23-8(3)4)11(19)14(24-10)18-5-9(16)13(20)17-15(18)21/h5,7-8,10-12,14,19H,6H2,1-4H3,(H,17,20,21)/t10-,11?,12+,14-/m1/s1
InChIKeyPHYWDZSTISVIAM-VFJKSUPXSA-N
XLogP0.78
TPSA102.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 71218597
5-bromo-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 66760234
[(2R,3S,4S,5S)-3,4-diacetyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 135391183
5-bromo-1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]pyrimidine-2,4-dione
CID 163065098
5-bromo-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 5271380
5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;oxane
CID 68762751
[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 23379800
5-bromo-1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[tris(4-methylphenyl)methoxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 100863547
[(2R,4S,5R)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 118149146
1-[(2R,3S,5R)-4-propan-2-yloxy-5-(propan-2-yloxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461488
[[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 13138285
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] acetate
CID 118262374

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 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) is 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is CC(C)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C(O)[C@H]1OC(C)C.
What is the InChIKey of 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is PHYWDZSTISVIAM-VFJKSUPXSA-N. The full InChI is InChI=1S/C15H23BrN2O6/c1-7(2)22-6-10-12(23-8(3)4)11(19)14(24-10)18-5-9(16)13(20)17-15(18)21/h5,7-8,10-12,14,19H,6H2,1-4H3,(H,17,20,21)/t10-,11?,12+,14-/m1/s1.
What are the key properties of 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 407.26 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2R,4R,5R)-3-hydroxy-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 67126278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).