1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione

C12H16N2O4 — CID 159018910

IUPAC1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(/C=C/C)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C12H16N2O4/c1-3-4-8-6-14(12(17)13-11(8)16)10-5-9(15)7(2)18-10/h3-4,6-7,9-10,15H,5H2,1-2H3,(H,13,16,17)/b4-3+/t7-,9?,10-/m1/s1/i2D
InChIKeyKYSXBJWLRIDWAB-QLVNSIHUSA-N
MW253.28 g/mol
LogP0.24
Rot. Bonds3

About 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione

1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione (PubChem CID 159018910) has the molecular formula C12H16N2O4 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
PubChem CID159018910
Molecular FormulaC12H16N2O4
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(/C=C/C)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C12H16N2O4/c1-3-4-8-6-14(12(17)13-11(8)16)10-5-9(15)7(2)18-10/h3-4,6-7,9-10,15H,5H2,1-2H3,(H,13,16,17)/b4-3+/t7-,9?,10-/m1/s1/i2D
InChIKeyKYSXBJWLRIDWAB-QLVNSIHUSA-N
XLogP0.24
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione
CID 159018911
1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-isocyanopyrimidine-2,4-dione
CID 58308003
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
5-[(E)-but-1-enyl]-1-(5-ethyl-4-hydroxyoxolan-2-yl)pyrimidine-2,4-dione
CID 20662327
1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 22895138
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-trimethylsilylethenyl]pyrimidine-2,4-dione
CID 10758516
5-[(Z)-2-bromoethenyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6249422
5-[(E)-2-bromoethenyl]-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57449483
1-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 70951619
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 102462626
1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione
CID 118372799
1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 138455897

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione (CID 159018910) is 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione is [2H]C[C@H]1O[C@@H](n2cc(/C=C/C)c(=O)[nH]c2=O)CC1O.
What is the InChIKey of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is KYSXBJWLRIDWAB-QLVNSIHUSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-4-8-6-14(12(17)13-11(8)16)10-5-9(15)7(2)18-10/h3-4,6-7,9-10,15H,5H2,1-2H3,(H,13,16,17)/b4-3+/t7-,9?,10-/m1/s1/i2D.
What are the key properties of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione?
1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 253.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 159018910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).