5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione

C11H15N3O6 — CID 25112902

IUPAC5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2[C@H](O)[C@H](O)[C@H](O)C(=O)N2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6/c1-4-3-14(11(20)12-8(4)18)9-6(16)5(15)7(17)10(19)13(9)2/h3,5-7,9,15-17H,1-2H3,(H,12,18,20)/t5-,6+,7-,9+/m0/s1
InChIKeyJLMIOYOYACUIBW-VOQBNFLRSA-N
MW285.26 g/mol
LogP-3.10
Rot. Bonds1

About 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione (PubChem CID 25112902) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione
PubChem CID25112902
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2[C@H](O)[C@H](O)[C@H](O)C(=O)N2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6/c1-4-3-14(11(20)12-8(4)18)9-6(16)5(15)7(17)10(19)13(9)2/h3,5-7,9,15-17H,1-2H3,(H,12,18,20)/t5-,6+,7-,9+/m0/s1
InChIKeyJLMIOYOYACUIBW-VOQBNFLRSA-N
XLogP-3.10
TPSA135.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-3.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(4R)-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 138975124
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
CID 10825887
1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100925330
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10781233

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione (CID 25112902) is 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione is Cc1cn([C@@H]2[C@H](O)[C@H](O)[C@H](O)C(=O)N2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione?
The InChIKey is JLMIOYOYACUIBW-VOQBNFLRSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-4-3-14(11(20)12-8(4)18)9-6(16)5(15)7(17)10(19)13(9)2/h3,5-7,9,15-17H,1-2H3,(H,12,18,20)/t5-,6+,7-,9+/m0/s1.
What are the key properties of 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione has a molecular weight of 285.26 g/mol, XLogP of -3.10, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,3S,4S,5S)-3,4,5-trihydroxy-1-methyl-6-oxopiperidin-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 25112902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).