2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C25H24N4O2 — CID 67243376

IUPAC2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCC(C)(C)C=Cc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2
InChIInChI=1S/C25H24N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-13,15H,14H2,1-3H3,(H2,26,29)
InChIKeySFYLTDSKLYPEBM-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.90
Rot. Bonds2

About 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 67243376) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID67243376
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESCC(C)(C)C=Cc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2
InChIInChI=1S/C25H24N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-13,15H,14H2,1-3H3,(H2,26,29)
InChIKeySFYLTDSKLYPEBM-UHFFFAOYSA-N
XLogP4.90
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 67243376) is 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is CC(C)(C)C=Cc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2.
What is the InChIKey of 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is SFYLTDSKLYPEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-24(2,3)9-8-16-4-6-21-19(10-16)25(14-30-23(26)29-25)20-11-17(5-7-22(20)31-21)18-12-27-15-28-13-18/h4-13,15H,14H2,1-3H3,(H2,26,29).
What are the key properties of 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 412.49 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3,3-dimethylbut-1-enyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67243376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).