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

C11H15N3O6 — CID 68744912

IUPAC6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
SMILESO=c1nc2c(cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCON2
InChIInChI=1S/C11H15N3O6/c15-4-6-7(16)8(17)10(20-6)14-3-5-1-2-19-13-9(5)12-11(14)18/h3,6-8,10,15-17H,1-2,4H2,(H,12,13,18)/t6-,7-,8-,10-/m1/s1
InChIKeyLSHCBZGKVIXLAH-FDDDBJFASA-N
MW285.26 g/mol
LogP-2.25
Rot. Bonds2

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

6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one (PubChem CID 68744912) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one.

Molecular Properties

Compound Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
PubChem CID68744912
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
SMILESO=c1nc2c(cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCON2
InChIInChI=1S/C11H15N3O6/c15-4-6-7(16)8(17)10(20-6)14-3-5-1-2-19-13-9(5)12-11(14)18/h3,6-8,10,15-17H,1-2,4H2,(H,12,13,18)/t6-,7-,8-,10-/m1/s1
InChIKeyLSHCBZGKVIXLAH-FDDDBJFASA-N
XLogP-2.25
TPSA126.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
CID 89173360
3-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-pyrimido[4,5-d]pyrimidine-2,7-dione
CID 118005099
[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-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
CID 14862335
4-amino-5-chloro-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 14308792
6-cyclopropyl-3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 132554836
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 134914469
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-ethyltriazol-1-yl)pyrimidin-2-one
CID 144823494
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one
CID 163541264
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
CID 140676567
3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 144823552

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
The IUPAC name of 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) is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one.
What is the SMILES notation for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
The canonical SMILES for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one is O=c1nc2c(cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCON2.
What is the InChIKey of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
The InChIKey is LSHCBZGKVIXLAH-FDDDBJFASA-N. The full InChI is InChI=1S/C11H15N3O6/c15-4-6-7(16)8(17)10(20-6)14-3-5-1-2-19-13-9(5)12-11(14)18/h3,6-8,10,15-17H,1-2,4H2,(H,12,13,18)/t6-,7-,8-,10-/m1/s1.
What are the key properties of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one?
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one has a molecular weight of 285.26 g/mol, XLogP of -2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one is sourced from PubChem (CID 68744912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).