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

C10H14N2O4 — CID 174007747

IUPAC5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-12-4-7(9(14)11-10(12)15)8-3-2-6(5-13)16-8/h4,6,8,13H,2-3,5H2,1H3,(H,11,14,15)/t6-,8+/m0/s1
InChIKeyIPULMMCMQQPJLQ-POYBYMJQSA-N
MW226.23 g/mol
LogP-0.71
Rot. Bonds2

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

5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione (PubChem CID 174007747) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
PubChem CID174007747
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-12-4-7(9(14)11-10(12)15)8-3-2-6(5-13)16-8/h4,6,8,13H,2-3,5H2,1H3,(H,11,14,15)/t6-,8+/m0/s1
InChIKeyIPULMMCMQQPJLQ-POYBYMJQSA-N
XLogP-0.71
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 169201590
[hydroxy-[[(2S,5R)-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 118150973
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
6-amino-5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one
CID 122656730
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
5-[(2S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 144823454
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
[(2R,4R,5S)-4-benzoyloxy-2-(hydroxymethyl)-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-3-yl] benzoate
CID 170453119
[5-(1-methylimidazol-2-yl)oxolan-2-yl]methanol
CID 131048149
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrazin-2-one
CID 144823607

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione (CID 174007747) is 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione is Cn1cc([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
The InChIKey is IPULMMCMQQPJLQ-POYBYMJQSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12-4-7(9(14)11-10(12)15)8-3-2-6(5-13)16-8/h4,6,8,13H,2-3,5H2,1H3,(H,11,14,15)/t6-,8+/m0/s1.
What are the key properties of 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione?
5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 174007747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).