6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione

C5H3N3O3 — CID 137175920

IUPAC6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione
SMILESO=c1[nH]oc2c(=O)[nH]cnc12
InChIInChI=1S/C5H3N3O3/c9-4-2-3(11-8-4)5(10)7-1-6-2/h1H,(H,8,9)(H,6,7,10)
InChIKeyXJULCBCFWQALER-UHFFFAOYSA-N
MW153.10 g/mol
LogP-0.80
Rot. Bonds

About 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione

6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione (PubChem CID 137175920) has the molecular formula C5H3N3O3 and a molecular weight of 153.10 g/mol. Its IUPAC name is 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione.

Molecular Properties

Compound Name6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione
PubChem CID137175920
Molecular FormulaC5H3N3O3
Molecular Weight153.10 g/mol
Exact Mass153.02
IUPAC Name6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione
SMILESO=c1[nH]oc2c(=O)[nH]cnc12
InChIInChI=1S/C5H3N3O3/c9-4-2-3(11-8-4)5(10)7-1-6-2/h1H,(H,8,9)(H,6,7,10)
InChIKeyXJULCBCFWQALER-UHFFFAOYSA-N
XLogP-0.80
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
CID 138986802
1,7-dihydropurin-6-one
CID 135546991
1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
CID 142357915
azane;1,7-dihydropurin-6-one
CID 158320966
1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
CID 137121597
2-tert-butyl-6H-[1,3]oxazolo[4,5-d]pyrimidin-7-one
CID 136927916
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
CID 135410720
6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 168877692
7-nitroso-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136608906
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
3,7-dihydropyrrolo[2,3-h]quinazolin-4-one
CID 152522842

Frequently Asked Questions

What is the IUPAC name of 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione?
The IUPAC name of 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione (CID 137175920) is 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione.
What is the SMILES notation for 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione?
The canonical SMILES for 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione is O=c1[nH]oc2c(=O)[nH]cnc12.
What is the InChIKey of 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione?
The InChIKey is XJULCBCFWQALER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O3/c9-4-2-3(11-8-4)5(10)7-1-6-2/h1H,(H,8,9)(H,6,7,10).
What are the key properties of 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione?
6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione has a molecular weight of 153.10 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-[1,2]oxazolo[4,5-d]pyrimidine-3,7-dione is sourced from PubChem (CID 137175920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).