1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione

C12H16N2O4 — CID 159018911

IUPAC1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(C(=C)C)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C12H16N2O4/c1-6(2)8-5-14(12(17)13-11(8)16)10-4-9(15)7(3)18-10/h5,7,9-10,15H,1,4H2,2-3H3,(H,13,16,17)/t7-,9?,10-/m1/s1/i3D
InChIKeyJCJZJIRKAVZCMR-NWNURHTASA-N
MW253.28 g/mol
LogP0.24
Rot. Bonds3

About 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione

1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione (PubChem CID 159018911) 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-prop-1-en-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione
PubChem CID159018911
Molecular FormulaC12H16N2O4
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(C(=C)C)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C12H16N2O4/c1-6(2)8-5-14(12(17)13-11(8)16)10-4-9(15)7(3)18-10/h5,7,9-10,15H,1,4H2,2-3H3,(H,13,16,17)/t7-,9?,10-/m1/s1/i3D
InChIKeyJCJZJIRKAVZCMR-NWNURHTASA-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

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Related Compounds

1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-isocyanopyrimidine-2,4-dione
CID 58308003
1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 159018910
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
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-(2-methylprop-2-enoyl)pyrimidine-2,4-dione
CID 67939748
1-[(4R)-4-hydroxy-5-methyloxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 138455897
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-(1-bromoethenyl)pyrimidine-2,4-dione
CID 87478469
5-[(E)-1-chloroprop-1-en-2-yl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6479140
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
CID 71752342
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-phenylethenyl)pyrimidine-2,4-dione
CID 11782475
1-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 121217563
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;prop-1-ene
CID 67826659

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione (CID 159018911) is 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-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-prop-1-en-2-ylpyrimidine-2,4-dione?
The InChIKey is JCJZJIRKAVZCMR-NWNURHTASA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6(2)8-5-14(12(17)13-11(8)16)10-4-9(15)7(3)18-10/h5,7,9-10,15H,1,4H2,2-3H3,(H,13,16,17)/t7-,9?,10-/m1/s1/i3D.
What are the key properties of 1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-2,4-dione?
1-[(2R,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-prop-1-en-2-ylpyrimidine-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-prop-1-en-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 159018911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).