(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

C23H23N7O2 — CID 26918700

IUPAC(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
SMILESCc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1
InChIInChI=1S/C23H23N7O2/c1-14-7-2-5-11-17(14)25-21-27-18(26-20(24)28-21)13-30-19(31)23(29-22(30)32)12-6-9-15-8-3-4-10-16(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t23-/m1/s1
InChIKeyOPWRJCUFWLOHBF-HSZRJFAPSA-N
MW429.48 g/mol
LogP2.79
Rot. Bonds4

About (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

(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 (PubChem CID 26918700) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID26918700
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(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
SMILESCc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1
InChIInChI=1S/C23H23N7O2/c1-14-7-2-5-11-17(14)25-21-27-18(26-20(24)28-21)13-30-19(31)23(29-22(30)32)12-6-9-15-8-3-4-10-16(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t23-/m1/s1
InChIKeyOPWRJCUFWLOHBF-HSZRJFAPSA-N
XLogP2.79
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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
(5S)-3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 41190618
(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
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
(5S)-3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 40795722
3'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 18147205
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(4S)-3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8940626
(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
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
3'-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 166228870

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1.
What is the InChIKey of (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?
The InChIKey is OPWRJCUFWLOHBF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-7-2-5-11-17(14)25-21-27-18(26-20(24)28-21)13-30-19(31)23(29-22(30)32)12-6-9-15-8-3-4-10-16(15)23/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 429.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 26918700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).