[2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate

C12H16N2O5 — CID 142275460

IUPAC[2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate
SMILESC=C1NC(=O)N(C2CC(OC=O)C(CO)O2)C=C1C
InChIInChI=1S/C12H16N2O5/c1-7-4-14(12(17)13-8(7)2)11-3-9(18-6-16)10(5-15)19-11/h4,6,9-11,15H,2-3,5H2,1H3,(H,13,17)
InChIKeyXCEMWRFAHWBOHZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.08
Rot. Bonds4

About [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate

[2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate (PubChem CID 142275460) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate
PubChem CID142275460
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name[2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate
SMILESC=C1NC(=O)N(C2CC(OC=O)C(CO)O2)C=C1C
InChIInChI=1S/C12H16N2O5/c1-7-4-14(12(17)13-8(7)2)11-3-9(18-6-16)10(5-15)19-11/h4,6,9-11,15H,2-3,5H2,1H3,(H,13,17)
InChIKeyXCEMWRFAHWBOHZ-UHFFFAOYSA-N
XLogP0.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,5S)-4-azido-5-(propoxymethyl)oxolan-2-yl]-5-methyl-4-methylidenepyrimidin-2-one
CID 159508479
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one
CID 158369816
N-[3-[1-[(2R,4R,5R)-4-(azidomethoxy)-5-(hydroxymethyl)oxolan-2-yl]-4-methylidene-2-oxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
CID 122677252
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;bis(1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one);bis(1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(18O)oxidanyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one);1-[(2R,4R,5R)-5-(hydroxymethyl)-4-(18O)oxidanyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one;bis(1-[(2R,4R,5R)-4-hydroxy-5-((18O)oxidanylmethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one);1-[(2R,4R,5R)-4-hydroxy-5-((18O)oxidanylmethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-(18O)one;bis(5-methyl-2-methylidene-1-[(2R,4R,5R)-4-(18O)oxidanyl-5-((18O)oxidanylmethyl)oxolan-2-yl]pyrimidin-4-one);5-methyl-2-methylidene-1-[(2R,4R,5R)-4-(18O)oxidanyl-5-((18O)oxidanylmethyl)oxolan-2-yl]pyrimidin-4-(18O)one
CID 158369812
1-[(2R,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 58059985
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
N-[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyformamide
CID 88613065
[(2R,3S,5R)-2-(hydroxymethyl)-5-[(6R)-6-methyl-3,5-dioxo-7-oxa-2,4-diazabicyclo[4.1.0]heptan-2-yl]oxolan-3-yl] acetate
CID 100950516
N-[2-[[2-[[3-amino-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]-8,8-dimethyl-6-methylidenenon-1-en-5-yl]amino]-5-methylhex-1-en-3-yl]-3,3-dimethylbutanamide
CID 142837606
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
CID 121007446
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyridine-2,4-dione
CID 159459992

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate?
The IUPAC name of [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate (CID 142275460) is [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate.
What is the SMILES notation for [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate?
The canonical SMILES for [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate is C=C1NC(=O)N(C2CC(OC=O)C(CO)O2)C=C1C.
What is the InChIKey of [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate?
The InChIKey is XCEMWRFAHWBOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7-4-14(12(17)13-8(7)2)11-3-9(18-6-16)10(5-15)19-11/h4,6,9-11,15H,2-3,5H2,1H3,(H,13,17).
What are the key properties of [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate?
[2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate has a molecular weight of 268.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-(5-methyl-4-methylidene-2-oxopyrimidin-1-yl)oxolan-3-yl] formate is sourced from PubChem (CID 142275460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).