1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C13H20N2O6 — CID 166858468

IUPAC1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2OC(CO)C[C@H]2OC(C)(C)O)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O6/c1-7-5-15(12(18)14-10(7)17)11-9(21-13(2,3)19)4-8(6-16)20-11/h5,8-9,11,16,19H,4,6H2,1-3H3,(H,14,17,18)/t8?,9-,11?/m1/s1
InChIKeyQLNZILVCYDVCEF-INWMGODYSA-N
MW300.31 g/mol
LogP-0.76
Rot. Bonds4

About 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 166858468) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID166858468
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2OC(CO)C[C@H]2OC(C)(C)O)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O6/c1-7-5-15(12(18)14-10(7)17)11-9(21-13(2,3)19)4-8(6-16)20-11/h5,8-9,11,16,19H,4,6H2,1-3H3,(H,14,17,18)/t8?,9-,11?/m1/s1
InChIKeyQLNZILVCYDVCEF-INWMGODYSA-N
XLogP-0.76
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
1-[(2S,3R,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10685170
chloromethane;1-[(3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190487
1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100955553
1-[(2R,3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22853714
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102420692
[5-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 171653515

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 166858468) is 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2OC(CO)C[C@H]2OC(C)(C)O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is QLNZILVCYDVCEF-INWMGODYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-7-5-15(12(18)14-10(7)17)11-9(21-13(2,3)19)4-8(6-16)20-11/h5,8-9,11,16,19H,4,6H2,1-3H3,(H,14,17,18)/t8?,9-,11?/m1/s1.
What are the key properties of 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 300.31 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 166858468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).