8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C34H35N9O — CID 136504311

IUPAC8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESC/N=C1/NC2(CCc3cccc(-c4cnc(-c5ccc(-c6cnccn6)c6c5CCC5(COC(N)=N5)C6)nc4)c3C2)CN1C
InChIInChI=1S/C34H35N9O/c1-36-32-42-33(19-43(32)2)10-8-21-4-3-5-23(27(21)14-33)22-16-39-30(40-17-22)26-7-6-25(29-18-37-12-13-38-29)28-15-34(11-9-24(26)28)20-44-31(35)41-34/h3-7,12-13,16-18H,8-11,14-15,19-20H2,1-2H3,(H2,35,41)(H,36,42)
InChIKeyFJXLOXMWZZBPBU-UHFFFAOYSA-N
MW585.72 g/mol
LogP3.59
Rot. Bonds3

About 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 136504311) has the molecular formula C34H35N9O and a molecular weight of 585.72 g/mol. Its IUPAC name is 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID136504311
Molecular FormulaC34H35N9O
Molecular Weight585.72 g/mol
Exact Mass585.30
IUPAC Name8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESC/N=C1/NC2(CCc3cccc(-c4cnc(-c5ccc(-c6cnccn6)c6c5CCC5(COC(N)=N5)C6)nc4)c3C2)CN1C
InChIInChI=1S/C34H35N9O/c1-36-32-42-33(19-43(32)2)10-8-21-4-3-5-23(27(21)14-33)22-16-39-30(40-17-22)26-7-6-25(29-18-37-12-13-38-29)28-15-34(11-9-24(26)28)20-44-31(35)41-34/h3-7,12-13,16-18H,8-11,14-15,19-20H2,1-2H3,(H2,35,41)(H,36,42)
InChIKeyFJXLOXMWZZBPBU-UHFFFAOYSA-N
XLogP3.59
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine with MolForge

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Related Compounds

8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
2-amino-4'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-ol
CID 58466630
8-(2-fluoro-4-pyridinyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 76794791
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
2'-methyl-8-(6-methylpyrazin-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466941
8-(3,5-dimethyl-1,2-oxazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];methane;5-(6-methoxypyrazin-2-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];N-methyl-5-(2-methylspiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-2'-yl)pyrimidin-4-amine;2'-methyl-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 158597587
5-(3,5-dimethyl-1H-pyrazol-4-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466609
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-2-methoxy-N-methylacetamide
CID 70230307
2',3'-dimethyl-4-pyrimidin-5-ylspiro[1,3-dihydroindene-2,5'-4H-imidazole];(3S)-3'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine;3'-methyl-5-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];4-(5-methylspiro[3,4-dihydropyrrole-2,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-1,3-thiazole
CID 158239620
N-(2-aminospiro[5H-1,3-oxazole-4,7'-6,8-dihydro-5H-naphthalene]-1'-yl)-N-ethyl-1-methylsulfonylformamide
CID 91294112
N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
CID 136657359
(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466894

Frequently Asked Questions

What is the IUPAC name of 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 136504311) is 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is C/N=C1/NC2(CCc3cccc(-c4cnc(-c5ccc(-c6cnccn6)c6c5CCC5(COC(N)=N5)C6)nc4)c3C2)CN1C.
What is the InChIKey of 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is FJXLOXMWZZBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N9O/c1-36-32-42-33(19-43(32)2)10-8-21-4-3-5-23(27(21)14-33)22-16-39-30(40-17-22)26-7-6-25(29-18-37-12-13-38-29)28-15-34(11-9-24(26)28)20-44-31(35)41-34/h3-7,12-13,16-18H,8-11,14-15,19-20H2,1-2H3,(H2,35,41)(H,36,42).
What are the key properties of 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 585.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(1'-methyl-2'-methyliminospiro[6,8-dihydro-5H-naphthalene-7,4'-imidazolidine]-1-yl)pyrimidin-2-yl]-5-pyrazin-2-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 136504311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).