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

C24H17N5O2 — CID 59272337

IUPAC(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=N[C@]2(CO1)c1cc(-c3cccnc3)ccc1Oc1ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H17N5O2/c25-23-29-24(13-30-23)19-8-15(17-2-1-7-26-10-17)3-5-21(19)31-22-6-4-16(9-20(22)24)18-11-27-14-28-12-18/h1-12,14H,13H2,(H2,25,29)/t24-/m1/s1
InChIKeyUWTFAMORIWQSCB-XMMPIXPASA-N
MW407.43 g/mol
LogP3.90
Rot. Bonds2

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

(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 59272337) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID59272337
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=N[C@]2(CO1)c1cc(-c3cccnc3)ccc1Oc1ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H17N5O2/c25-23-29-24(13-30-23)19-8-15(17-2-1-7-26-10-17)3-5-21(19)31-22-6-4-16(9-20(22)24)18-11-27-14-28-12-18/h1-12,14H,13H2,(H2,25,29)/t24-/m1/s1
InChIKeyUWTFAMORIWQSCB-XMMPIXPASA-N
XLogP3.90
TPSA95.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 59272337) is (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=N[C@]2(CO1)c1cc(-c3cccnc3)ccc1Oc1ccc(-c3cncnc3)cc12.
What is the InChIKey of (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is UWTFAMORIWQSCB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H17N5O2/c25-23-29-24(13-30-23)19-8-15(17-2-1-7-26-10-17)3-5-21(19)31-22-6-4-16(9-20(22)24)18-11-27-14-28-12-18/h1-12,14H,13H2,(H2,25,29)/t24-/m1/s1.
What are the key properties of (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
(4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 407.43 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-pyridin-3-yl-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 59272337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).