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

C19H22N4O — CID 136657359

IUPACN,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
SMILESC/N=C1/NC2(CCc3c(cccc3-c3cncnc3)C2)C(C)(C)O1
InChIInChI=1S/C19H22N4O/c1-18(2)19(23-17(20-3)24-18)8-7-16-13(9-19)5-4-6-15(16)14-10-21-12-22-11-14/h4-6,10-12H,7-9H2,1-3H3,(H,20,23)
InChIKeyMWJMBNODNWASCI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.76
Rot. Bonds1

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

N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine (PubChem CID 136657359) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine.

Molecular Properties

Compound NameN,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
PubChem CID136657359
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
SMILESC/N=C1/NC2(CCc3c(cccc3-c3cncnc3)C2)C(C)(C)O1
InChIInChI=1S/C19H22N4O/c1-18(2)19(23-17(20-3)24-18)8-7-16-13(9-19)5-4-6-15(16)14-10-21-12-22-11-14/h4-6,10-12H,7-9H2,1-3H3,(H,20,23)
InChIKeyMWJMBNODNWASCI-UHFFFAOYSA-N
XLogP2.76
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.76
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
8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467250
3'-ethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
CID 58466910
3-methyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
CID 58466567
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567
(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
methyl N'-[(2S)-1-fluoro-2-methyl-5-pyrimidin-5-yl-3,4-dihydro-1H-naphthalen-2-yl]carbamimidate
CID 163469422
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
(5S)-8'-phenylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58466804
[(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
(3S,5'R)-5'-methyl-8-(2-propan-2-ylpyrimidin-5-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58467312
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
The IUPAC name of N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine (CID 136657359) is N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine.
What is the SMILES notation for N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
The canonical SMILES for N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine is C/N=C1/NC2(CCc3c(cccc3-c3cncnc3)C2)C(C)(C)O1.
What is the InChIKey of N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
The InChIKey is MWJMBNODNWASCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-18(2)19(23-17(20-3)24-18)8-7-16-13(9-19)5-4-6-15(16)14-10-21-12-22-11-14/h4-6,10-12H,7-9H2,1-3H3,(H,20,23).
What are the key properties of N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine?
N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine has a molecular weight of 322.41 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine is sourced from PubChem (CID 136657359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).