1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione

C14H23N3O4 — CID 138644303

IUPAC1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione
SMILESCCOC[C@H]1O[C@@H](n2cc(C)c(=O)n(CC)c2=O)CC1N
InChIInChI=1S/C14H23N3O4/c1-4-16-13(18)9(3)7-17(14(16)19)12-6-10(15)11(21-12)8-20-5-2/h7,10-12H,4-6,8,15H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyUFZOIAUWASODPM-PQDIPPBSSA-N
MW297.36 g/mol
LogP-0.01
Rot. Bonds5

About 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione

1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione (PubChem CID 138644303) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione
PubChem CID138644303
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione
SMILESCCOC[C@H]1O[C@@H](n2cc(C)c(=O)n(CC)c2=O)CC1N
InChIInChI=1S/C14H23N3O4/c1-4-16-13(18)9(3)7-17(14(16)19)12-6-10(15)11(21-12)8-20-5-2/h7,10-12H,4-6,8,15H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyUFZOIAUWASODPM-PQDIPPBSSA-N
XLogP-0.01
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 46936617
[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 15956514
[(2S,3S,5R)-3-amino-5-(5-methyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 139186922
ethyl 3-[(2R,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate
CID 54108692
3-(2-hydroxybutyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71350310
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 118334097
3-(2-(18F)fluoroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 16661562
[3-[(2R,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl 2,2-dimethylpropanoate
CID 57226495
1-[(4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118311659
[[(2S,3S,5S)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2S,3S,5S)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CID 10123320
3-fluoro-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57213361
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 10791833

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione (CID 138644303) is 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione is CCOC[C@H]1O[C@@H](n2cc(C)c(=O)n(CC)c2=O)CC1N.
What is the InChIKey of 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione?
The InChIKey is UFZOIAUWASODPM-PQDIPPBSSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-16-13(18)9(3)7-17(14(16)19)12-6-10(15)11(21-12)8-20-5-2/h7,10-12H,4-6,8,15H2,1-3H3/t10?,11-,12-/m1/s1.
What are the key properties of 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione?
1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione has a molecular weight of 297.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-4-amino-5-(ethoxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 138644303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).