8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine

C16H17N5 — CID 58467250

IUPAC8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
SMILESNC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1
InChIInChI=1S/C16H17N5/c17-15-20-9-16(21-15)5-4-14-11(6-16)2-1-3-13(14)12-7-18-10-19-8-12/h1-3,7-8,10H,4-6,9H2,(H3,17,20,21)
InChIKeyUCJSUDIXBBQXHD-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.29
Rot. Bonds1

About 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine

8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine (PubChem CID 58467250) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine.

Molecular Properties

Compound Name8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
PubChem CID58467250
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
SMILESNC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1
InChIInChI=1S/C16H17N5/c17-15-20-9-16(21-15)5-4-14-11(6-16)2-1-3-13(14)12-7-18-10-19-8-12/h1-3,7-8,10H,4-6,9H2,(H3,17,20,21)
InChIKeyUCJSUDIXBBQXHD-UHFFFAOYSA-N
XLogP1.29
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-8'-phenylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58466804
(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'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 76794778
8'-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467215
6'-phenylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467103
3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 58466662
(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
CID 58466975
N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
CID 136657359
3'-ethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
CID 58466910
(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
CID 58467168
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

Frequently Asked Questions

What is the IUPAC name of 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
The IUPAC name of 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine (CID 58467250) is 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine.
What is the SMILES notation for 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
The canonical SMILES for 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine is NC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.
What is the InChIKey of 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
The InChIKey is UCJSUDIXBBQXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-15-20-9-16(21-15)5-4-14-11(6-16)2-1-3-13(14)12-7-18-10-19-8-12/h1-3,7-8,10H,4-6,9H2,(H3,17,20,21).
What are the key properties of 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine?
8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine has a molecular weight of 279.35 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine is sourced from PubChem (CID 58467250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).