(3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine

C26H28N4O2 — CID 141263262

IUPAC(3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
SMILESCOC(C)(C)CCc1ccc2c(c1)[C@]1(C=C(N)NC1)c1cc(-c3cncnc3)ccc1O2
InChIInChI=1S/C26H28N4O2/c1-25(2,31-3)9-8-17-4-6-22-20(10-17)26(12-24(27)30-15-26)21-11-18(5-7-23(21)32-22)19-13-28-16-29-14-19/h4-7,10-14,16,30H,8-9,15,27H2,1-3H3/t26-/m1/s1
InChIKeyXDOFHSVAQDXLST-AREMUKBSSA-N
MW428.54 g/mol
LogP4.30
Rot. Bonds5

About (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine

(3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine (PubChem CID 141263262) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine.

Molecular Properties

Compound Name(3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
PubChem CID141263262
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name(3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
SMILESCOC(C)(C)CCc1ccc2c(c1)[C@]1(C=C(N)NC1)c1cc(-c3cncnc3)ccc1O2
InChIInChI=1S/C26H28N4O2/c1-25(2,31-3)9-8-17-4-6-22-20(10-17)26(12-24(27)30-15-26)21-11-18(5-7-23(21)32-22)19-13-28-16-29-14-19/h4-7,10-14,16,30H,8-9,15,27H2,1-3H3/t26-/m1/s1
InChIKeyXDOFHSVAQDXLST-AREMUKBSSA-N
XLogP4.30
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67243485
1-[(3S)-5-amino-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-2'-yl]oxypropan-2-one
CID 141263218
(3S)-3'-[(E)-3,3-dimethylbut-1-enyl]-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263200
(4S)-2'-(3,3-dimethylbutyl)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67242781
1-[(3S)-5-amino-7'-pyridin-3-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-2'-yl]oxy-2-methylbutan-2-ol
CID 141263135
2',8'-dipyridin-3-ylspiro[1,2-dihydropyrrole-3,10'-chromeno[3,2-b]pyridine]-5-amine
CID 141263152
2-[(3S)-5-amino-7'-pyridin-3-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-2'-yl]oxybenzonitrile
CID 141263253
(3S)-2'-bromo-7'-methoxyspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263164
(4R)-2'-(2,2-dimethylpropoxy)-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67248077
(3S)-7'-bromo-3'-chlorospiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263181
(3S)-2'-bromo-7'-iodospiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263231
2'-(2,2-dimethylpropoxy)-3,3-difluoro-7'-pyrimidin-5-ylspiro[pyrrolidine-5,9'-xanthene]-2-amine
CID 67383228

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine?
The IUPAC name of (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine (CID 141263262) is (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine.
What is the SMILES notation for (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine?
The canonical SMILES for (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine is COC(C)(C)CCc1ccc2c(c1)[C@]1(C=C(N)NC1)c1cc(-c3cncnc3)ccc1O2.
What is the InChIKey of (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine?
The InChIKey is XDOFHSVAQDXLST-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-25(2,31-3)9-8-17-4-6-22-20(10-17)26(12-24(27)30-15-26)21-11-18(5-7-23(21)32-22)19-13-28-16-29-14-19/h4-7,10-14,16,30H,8-9,15,27H2,1-3H3/t26-/m1/s1.
What are the key properties of (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine?
(3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine has a molecular weight of 428.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-(3-methoxy-3-methylbutyl)-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine is sourced from PubChem (CID 141263262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).