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

C10H14N2O3 — CID 102041523

IUPAC5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2OCC[C@@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-6-3-4-15-9(6)12-5-7(2)8(13)11-10(12)14/h5-6,9H,3-4H2,1-2H3,(H,11,13,14)/t6-,9+/m0/s1
InChIKeyLEPSNBMMZVNKOB-IMTBSYHQSA-N
MW210.23 g/mol
LogP0.40
Rot. Bonds1

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

5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 102041523) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID102041523
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@@H]2OCC[C@@H]2C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-6-3-4-15-9(6)12-5-7(2)8(13)11-10(12)14/h5-6,9H,3-4H2,1-2H3,(H,11,13,14)/t6-,9+/m0/s1
InChIKeyLEPSNBMMZVNKOB-IMTBSYHQSA-N
XLogP0.40
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[(2R,3S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]propanedioate
CID 10784307
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101037148
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-[(3R,3aR,5S,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10869335

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 102041523) is 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is Cc1cn([C@@H]2OCC[C@@H]2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is LEPSNBMMZVNKOB-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-3-4-15-9(6)12-5-7(2)8(13)11-10(12)14/h5-6,9H,3-4H2,1-2H3,(H,11,13,14)/t6-,9+/m0/s1.
What are the key properties of 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 102041523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).