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

C20H16N4O3 — CID 45256107

IUPAC2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2
InChIInChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)
InChIKeyQZGOMZOGZCMFCJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.85
Rot. Bonds2

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

2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 45256107) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID45256107
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCOc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2
InChIInChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)
InChIKeyQZGOMZOGZCMFCJ-UHFFFAOYSA-N
XLogP2.85
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 45256107) is 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2.
What is the InChIKey of 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is QZGOMZOGZCMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24).
What are the key properties of 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 360.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methoxy-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 45256107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).