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

C17H16N4O2 — CID 58466662

IUPAC3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC2(CCc3c(cccc3-c3cncnc3)C2)C1=O
InChIInChI=1S/C17H16N4O2/c1-21-15(22)17(20-16(21)23)6-5-14-11(7-17)3-2-4-13(14)12-8-18-10-19-9-12/h2-4,8-10H,5-7H2,1H3,(H,20,23)
InChIKeyAQMWYRIITGUYDS-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.55
Rot. Bonds1

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

3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 58466662) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID58466662
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCN1C(=O)NC2(CCc3c(cccc3-c3cncnc3)C2)C1=O
InChIInChI=1S/C17H16N4O2/c1-21-15(22)17(20-16(21)23)6-5-14-11(7-17)3-2-4-13(14)12-8-18-10-19-9-12/h2-4,8-10H,5-7H2,1H3,(H,20,23)
InChIKeyAQMWYRIITGUYDS-UHFFFAOYSA-N
XLogP1.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N,5,5-trimethyl-8'-pyrimidin-5-ylspiro[1,3-oxazolidine-4,3'-2,4-dihydro-1H-naphthalene]-2-imine
CID 136657359
(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
2',3'-dimethyl-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]
CID 70228450
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567
2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
CID 71263668
1'-methyl-2',5'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,4'-imidazolidine]-2-carbaldehyde
CID 87099262
(5S)-8'-phenylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58466804
3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112774183
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 58466662) is 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is CN1C(=O)NC2(CCc3c(cccc3-c3cncnc3)C2)C1=O.
What is the InChIKey of 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is AQMWYRIITGUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-15(22)17(20-16(21)23)6-5-14-11(7-17)3-2-4-13(14)12-8-18-10-19-9-12/h2-4,8-10H,5-7H2,1H3,(H,20,23).
What are the key properties of 3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-methyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 308.34 g/mol, XLogP of 1.55, 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[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58466662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).