[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate

C12H16N2O6 — CID 19047313

IUPAC[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
SMILESCC(=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C12H16N2O6/c1-5-4-14(12(19)13-11(5)18)7-3-8(20-6(2)15)10(17)9(7)16/h4,7-10,16-17H,3H2,1-2H3,(H,13,18,19)
InChIKeyYPGRBFYIPNUSSX-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.56
Rot. Bonds2

About [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate

[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate (PubChem CID 19047313) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate.

Molecular Properties

Compound Name[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
PubChem CID19047313
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate
SMILESCC(=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C12H16N2O6/c1-5-4-14(12(19)13-11(5)18)7-3-8(20-6(2)15)10(17)9(7)16/h4,7-10,16-17H,3H2,1-2H3,(H,13,18,19)
InChIKeyYPGRBFYIPNUSSX-UHFFFAOYSA-N
XLogP-1.56
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 171653515
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(1S,2S,3S,4R)-4-(aminomethyl)-2,3-dihydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 110153692
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
[(3R,4R,5R,6R)-4,5-diacetyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-3-yl] acetate
CID 102246922
[(3S)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70812678
methyl (2S,3S,5R)-3-acetyloxy-2-deuterio-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylate
CID 23256888
1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 138975124
[(3S,6S)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 14079555
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
[(2S,3R,6R)-2-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 14058078
[(2R,5R)-3,4-diacetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70861016

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate?
The IUPAC name of [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate (CID 19047313) is [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate.
What is the SMILES notation for [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate?
The canonical SMILES for [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate is CC(=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)C(O)C1O.
What is the InChIKey of [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate?
The InChIKey is YPGRBFYIPNUSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-5-4-14(12(19)13-11(5)18)7-3-8(20-6(2)15)10(17)9(7)16/h4,7-10,16-17H,3H2,1-2H3,(H,13,18,19).
What are the key properties of [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate?
[2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate has a molecular weight of 284.27 g/mol, XLogP of -1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] acetate is sourced from PubChem (CID 19047313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).