1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane

C12H22N2O5 — CID 143719523

IUPAC1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane
SMILESCC.COC(CO)CC(O)n1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O5.C2H6/c1-6-3-8(14)11-10(16)12(6)9(15)4-7(5-13)17-2;1-2/h3,7,9,13,15H,4-5H2,1-2H3,(H,11,14,16);1-2H3
InChIKeyHPPJDAJHKQAQJR-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.24
Rot. Bonds5

About 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane

1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane (PubChem CID 143719523) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane
PubChem CID143719523
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane
SMILESCC.COC(CO)CC(O)n1c(C)cc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O5.C2H6/c1-6-3-8(14)11-10(16)12(6)9(15)4-7(5-13)17-2;1-2/h3,7,9,13,15H,4-5H2,1-2H3,(H,11,14,16);1-2H3
InChIKeyHPPJDAJHKQAQJR-UHFFFAOYSA-N
XLogP-0.24
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methyluridine
CID 92887
1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methyl-pyrimidine-2,4-dione
CID 16075066
1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-methylpyrimidine-2,4-dione
CID 46874141
6-Methyl-2'-deoxyuridine
CID 14654796
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylpyrimidine-2,4-dione
CID 270256
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylpyrimidine-2,4-dione
CID 56984214
3-{2-[(2,3-dihydroxypropyl)(methyl)amino]ethyl}-6-methylpyrimidine-2,4(1H,3H)-dione
CID 91843261
1-[(2S,3R)-2-fluoro-1,4-dihydroxy-3-methoxybutyl]pyrimidine-2,4-dione
CID 90136220
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(111C)methylpyrimidine-2,4-dione
CID 450758
3-beta-d-Xylofuranosyl-6-methyluracil
CID 129878324
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 23268087
1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylpyrimidine-2,4-dione
CID 14654795

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane?
The IUPAC name of 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane (CID 143719523) is 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane.
What is the SMILES notation for 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane?
The canonical SMILES for 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane is CC.COC(CO)CC(O)n1c(C)cc(=O)[nH]c1=O.
What is the InChIKey of 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane?
The InChIKey is HPPJDAJHKQAQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5.C2H6/c1-6-3-8(14)11-10(16)12(6)9(15)4-7(5-13)17-2;1-2/h3,7,9,13,15H,4-5H2,1-2H3,(H,11,14,16);1-2H3.
What are the key properties of 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane?
1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane has a molecular weight of 274.32 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydroxy-3-methoxybutyl)-6-methylpyrimidine-2,4-dione;ethane is sourced from PubChem (CID 143719523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).