1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione

C12H16N2O5 — CID 3013164

IUPAC1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCO[C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O5/c1-8-6-14(12(17)13-11(8)16)4-5-18-10-3-2-9(7-15)19-10/h2-3,6,9-10,15H,4-5,7H2,1H3,(H,13,16,17)/t9-,10+/m0/s1
InChIKeyKCMLMUGUWHDMAH-VHSXEESVSA-N
MW268.27 g/mol
LogP-0.86
Rot. Bonds5

About 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione

1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 3013164) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID3013164
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCO[C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O5/c1-8-6-14(12(17)13-11(8)16)4-5-18-10-3-2-9(7-15)19-10/h2-3,6,9-10,15H,4-5,7H2,1H3,(H,13,16,17)/t9-,10+/m0/s1
InChIKeyKCMLMUGUWHDMAH-VHSXEESVSA-N
XLogP-0.86
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
CID 10466814
1-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10801040
1-[[(3S,5R)-5-(hydroxymethyl)-2-methyl-1,2-oxazolidin-3-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 102310039
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
ethanol;1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;bis(1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione)
CID 158842131
1-[[(1S,2R,4R)-2-hydroxy-4-(hydroxymethyl)cyclobutyl]methyl]-5-methylpyrimidine-2,4-dione
CID 11447810
1-[(2R,5R)-5-(dimethoxyphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 14861968
1-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 98008852
acetylene;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethylphosphonous acid
CID 171628930
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione (CID 3013164) is 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCO[C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is KCMLMUGUWHDMAH-VHSXEESVSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8-6-14(12(17)13-11(8)16)4-5-18-10-3-2-9(7-15)19-10/h2-3,6,9-10,15H,4-5,7H2,1H3,(H,13,16,17)/t9-,10+/m0/s1.
What are the key properties of 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]oxy]ethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3013164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).