(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C24H20N4O3 — CID 45256653

IUPAC(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/s1
InChIKeyNZVBDKMMLGEBPO-XMMPIXPASA-N
MW412.45 g/mol
LogP3.64
Rot. Bonds2

About (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 45256653) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID45256653
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/s1
InChIKeyNZVBDKMMLGEBPO-XMMPIXPASA-N
XLogP3.64
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 45256653) is (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=N[C@]2(CO1)c1cc(C3=CCOCC3)ccc1Oc1ccc(-c3cncnc3)cc12.
What is the InChIKey of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is NZVBDKMMLGEBPO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N4O3/c25-23-28-24(13-30-23)19-9-16(15-5-7-29-8-6-15)1-3-21(19)31-22-4-2-17(10-20(22)24)18-11-26-14-27-12-18/h1-5,9-12,14H,6-8,13H2,(H2,25,28)/t24-/m1/s1.
What are the key properties of (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
(4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 412.45 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-(3,6-dihydro-2H-pyran-4-yl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 45256653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).