(3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C22H21N7O2 — CID 25331951

IUPAC(3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)cc1
InChIInChI=1S/C22H21N7O2/c1-13-6-8-15(9-7-13)24-20-26-17(25-19(23)27-20)12-29-18(30)22(28-21(29)31)11-10-14-4-2-3-5-16(14)22/h2-9H,10-12H2,1H3,(H,28,31)(H3,23,24,25,26,27)/t22-/m1/s1
InChIKeyMOISMZPWEHTVAU-JOCHJYFZSA-N
MW415.46 g/mol
LogP2.40
Rot. Bonds4

About (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 25331951) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID25331951
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name(3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)cc1
InChIInChI=1S/C22H21N7O2/c1-13-6-8-15(9-7-13)24-20-26-17(25-19(23)27-20)12-29-18(30)22(28-21(29)31)11-10-14-4-2-3-5-16(14)22/h2-9H,10-12H2,1H3,(H,28,31)(H3,23,24,25,26,27)/t22-/m1/s1
InChIKeyMOISMZPWEHTVAU-JOCHJYFZSA-N
XLogP2.40
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

(4R)-3'-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 26918700
(4S)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41208236
(4R)-3'-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 51544112
(5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 41105232
(3S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41130841
(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2662576
3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 78879020
3'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71932103
(5S,6S)-3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9451386
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295
3'-[(5-chloro-2-pyridinyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 86815731

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 25331951) is (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)cc1.
What is the InChIKey of (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is MOISMZPWEHTVAU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-13-6-8-15(9-7-13)24-20-26-17(25-19(23)27-20)12-29-18(30)22(28-21(29)31)11-10-14-4-2-3-5-16(14)22/h2-9H,10-12H2,1H3,(H,28,31)(H3,23,24,25,26,27)/t22-/m1/s1.
What are the key properties of (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 415.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 25331951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).