1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione

C13H19N3O5 — CID 118372799

IUPAC1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(/C=C/CNC)c(=O)[nH]c2=O)[C@@H](O)C1O
InChIInChI=1S/C13H19N3O5/c1-7-9(17)10(18)12(21-7)16-6-8(4-3-5-14-2)11(19)15-13(16)20/h3-4,6-7,9-10,12,14,17-18H,5H2,1-2H3,(H,15,19,20)/b4-3+/t7-,9?,10+,12-/m1/s1/i1D
InChIKeyKIQUTCFVVJERCQ-GXDBTDKVSA-N
MW298.32 g/mol
LogP-1.59
Rot. Bonds5

About 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione

1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione (PubChem CID 118372799) has the molecular formula C13H19N3O5 and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione
PubChem CID118372799
Molecular FormulaC13H19N3O5
Molecular Weight298.32 g/mol
Exact Mass298.14
IUPAC Name1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione
SMILES[2H]C[C@H]1O[C@@H](n2cc(/C=C/CNC)c(=O)[nH]c2=O)[C@@H](O)C1O
InChIInChI=1S/C13H19N3O5/c1-7-9(17)10(18)12(21-7)16-6-8(4-3-5-14-2)11(19)15-13(16)20/h3-4,6-7,9-10,12,14,17-18H,5H2,1-2H3,(H,15,19,20)/b4-3+/t7-,9?,10+,12-/m1/s1/i1D
InChIKeyKIQUTCFVVJERCQ-GXDBTDKVSA-N
XLogP-1.59
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,5R)-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 71684674
N-[3-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]-2,2,2-trifluoroacetamide
CID 123979274
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,5R)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 159018910
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
5-[(E)-2-chloroethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6441877
5-[(Z)-2-bromoethenyl]-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175129818
5-[(E)-2-bromoethenyl]-1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6439737
methyl 3-[1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 123526978
methyl 3-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
CID 71438737
(E)-3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoic acid
CID 13205980

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione (CID 118372799) is 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione is [2H]C[C@H]1O[C@@H](n2cc(/C=C/CNC)c(=O)[nH]c2=O)[C@@H](O)C1O.
What is the InChIKey of 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione?
The InChIKey is KIQUTCFVVJERCQ-GXDBTDKVSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7-9(17)10(18)12(21-7)16-6-8(4-3-5-14-2)11(19)15-13(16)20/h3-4,6-7,9-10,12,14,17-18H,5H2,1-2H3,(H,15,19,20)/b4-3+/t7-,9?,10+,12-/m1/s1/i1D.
What are the key properties of 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione?
1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione has a molecular weight of 298.32 g/mol, XLogP of -1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-5-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-(methylamino)prop-1-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118372799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).