2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol

C19H14N4O3 — CID 58466141

IUPAC2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
SMILESNC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(-c3cncnc3)cc12
InChIInChI=1S/C19H14N4O3/c20-18-23-19(9-25-18)14-5-11(12-7-21-10-22-8-12)1-3-16(14)26-17-4-2-13(24)6-15(17)19/h1-8,10,24H,9H2,(H2,20,23)
InChIKeyJMXUGEPAXJWRDS-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.54
Rot. Bonds1

About 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol

2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol (PubChem CID 58466141) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol.

Molecular Properties

Compound Name2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
PubChem CID58466141
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol
SMILESNC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(-c3cncnc3)cc12
InChIInChI=1S/C19H14N4O3/c20-18-23-19(9-25-18)14-5-11(12-7-21-10-22-8-12)1-3-16(14)26-17-4-2-13(24)6-15(17)19/h1-8,10,24H,9H2,(H2,20,23)
InChIKeyJMXUGEPAXJWRDS-UHFFFAOYSA-N
XLogP2.54
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol?
The IUPAC name of 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol (CID 58466141) is 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol.
What is the SMILES notation for 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol?
The canonical SMILES for 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol is NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(-c3cncnc3)cc12.
What is the InChIKey of 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol?
The InChIKey is JMXUGEPAXJWRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c20-18-23-19(9-25-18)14-5-11(12-7-21-10-22-8-12)1-3-16(14)26-17-4-2-13(24)6-15(17)19/h1-8,10,24H,9H2,(H2,20,23).
What are the key properties of 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol?
2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol has a molecular weight of 346.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol is sourced from PubChem (CID 58466141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).