6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one

C11H15N3O4 — CID 89173360

IUPAC6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
SMILESO=c1nc2c(cn1[C@H]1CC[C@@H](CO)O1)CCON2
InChIInChI=1S/C11H15N3O4/c15-6-8-1-2-9(18-8)14-5-7-3-4-17-13-10(7)12-11(14)16/h5,8-9,15H,1-4,6H2,(H,12,13,16)/t8-,9+/m0/s1
InChIKeyXUVYTPMHJPMWDY-DTWKUNHWSA-N
MW253.26 g/mol
LogP-0.19
Rot. Bonds2

About 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one

6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one (PubChem CID 89173360) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one.

Molecular Properties

Compound Name6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
PubChem CID89173360
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
SMILESO=c1nc2c(cn1[C@H]1CC[C@@H](CO)O1)CCON2
InChIInChI=1S/C11H15N3O4/c15-6-8-1-2-9(18-8)14-5-7-3-4-17-13-10(7)12-11(14)16/h5,8-9,15H,1-4,6H2,(H,12,13,16)/t8-,9+/m0/s1
InChIKeyXUVYTPMHJPMWDY-DTWKUNHWSA-N
XLogP-0.19
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
CID 68744912
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[hydroxy-[[3-hydroxy-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-6-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CID 22123505
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367080
[(2R,5R)-3-hydroxy-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-6-yl)oxolan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 89084621
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-6-yl)oxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
CID 11005896
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
CID 171505178
4-amino-5-(3-aminoprop-1-ynyl)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54143614
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
The IUPAC name of 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one (CID 89173360) is 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one.
What is the SMILES notation for 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
The canonical SMILES for 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one is O=c1nc2c(cn1[C@H]1CC[C@@H](CO)O1)CCON2.
What is the InChIKey of 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
The InChIKey is XUVYTPMHJPMWDY-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-6-8-1-2-9(18-8)14-5-7-3-4-17-13-10(7)12-11(14)16/h5,8-9,15H,1-4,6H2,(H,12,13,16)/t8-,9+/m0/s1.
What are the key properties of 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one has a molecular weight of 253.26 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one is sourced from PubChem (CID 89173360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).