(5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

C34H36N6O — CID 159540926

About (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

(5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 159540926) has the molecular formula C34H36N6O and a molecular weight of 544.70 g/mol. Its IUPAC name is (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

• Compound Name: (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
• PubChem CID: 159540926
• Molecular Formula: C34H36N6O
• Molecular Weight: 544.70 g/mol
• Exact Mass: 544.30
• IUPAC Name: (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
• SMILES: CC1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.NC1=NC[C@]2(CCc3c(cccc3-c3ccco3)C2)N1
• InChI: InChI=1S/C18H19N3.C16H17N3O/c1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;17-15-18-10-16(19-15)7-6-12-11(9-16)3-1-4-13(12)14-5-2-8-20-14/h2-4,10-12H,5-9H2,1H3;1-5,8H,6-7,9-10H2,(H3,17,18,19)/t18-;16-/m11/s1
• InChIKey: MEESVAORGGFKPO-XRXIBTDESA-N
• XLogP: 5.72
• TPSA: 101.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.70
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The IUPAC name of (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 159540926) is (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

What is the SMILES notation for (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The canonical SMILES for (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is CC1=N[C@]2(CC1)CCc1c(cccc1-c1cncnc1)C2.NC1=NC[C@]2(CCc3c(cccc3-c3ccco3)C2)N1.

What is the InChIKey of (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The InChIKey is MEESVAORGGFKPO-XRXIBTDESA-N. The full InChI is InChI=1S/C18H19N3.C16H17N3O/c1-13-5-7-18(21-13)8-6-17-14(9-18)3-2-4-16(17)15-10-19-12-20-11-15;17-15-18-10-16(19-15)7-6-12-11(9-16)3-1-4-13(12)14-5-2-8-20-14/h2-4,10-12H,5-9H2,1H3;1-5,8H,6-7,9-10H2,(H3,17,18,19)/t18-;16-/m11/s1.

What are the key properties of (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

(5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] has a molecular weight of 544.70 g/mol, XLogP of 5.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine;(3S)-5'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 159540926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).