3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine

C17H18N4O — CID 58466567

IUPAC3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
SMILES[H]/N=C1\OCC2(CCc3c(cccc3-c3cncnc3)C2)N1C
InChIInChI=1S/C17H18N4O/c1-21-16(18)22-10-17(21)6-5-15-12(7-17)3-2-4-14(15)13-8-19-11-20-9-13/h2-4,8-9,11,18H,5-7,10H2,1H3/b18-16-
InChIKeyMTZYFPKDQIVNBZ-VLGSPTGOSA-N
MW294.36 g/mol
LogP2.27
Rot. Bonds1

About 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine

3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine (PubChem CID 58466567) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine.

Molecular Properties

Compound Name3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
PubChem CID58466567
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
SMILES[H]/N=C1\OCC2(CCc3c(cccc3-c3cncnc3)C2)N1C
InChIInChI=1S/C17H18N4O/c1-21-16(18)22-10-17(21)6-5-15-12(7-17)3-2-4-14(15)13-8-19-11-20-9-13/h2-4,8-9,11,18H,5-7,10H2,1H3/b18-16-
InChIKeyMTZYFPKDQIVNBZ-VLGSPTGOSA-N
XLogP2.27
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 58466662
3'-ethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
CID 58466910
N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
CID 136657359
8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467250
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
(3S)-8-(furan-3-yl)-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466894
[(2S)-2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl]methanol;(3S)-8-bromo-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];(3S)-2'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole];1,1,1-trimethoxyethane
CID 159029419
(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
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
8-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467280
2'-methyl-8-(6-methylpyrazin-2-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466941

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
The IUPAC name of 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine (CID 58466567) is 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine.
What is the SMILES notation for 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
The canonical SMILES for 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine is [H]/N=C1\OCC2(CCc3c(cccc3-c3cncnc3)C2)N1C.
What is the InChIKey of 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
The InChIKey is MTZYFPKDQIVNBZ-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21-16(18)22-10-17(21)6-5-15-12(7-17)3-2-4-14(15)13-8-19-11-20-9-13/h2-4,8-9,11,18H,5-7,10H2,1H3/b18-16-.
What are the key properties of 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine has a molecular weight of 294.36 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine is sourced from PubChem (CID 58466567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).