(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

C24H25N7O2 — CID 51544112

IUPAC(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
SMILESCCc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1
InChIInChI=1S/C24H25N7O2/c1-2-15-8-4-6-12-18(15)26-22-28-19(27-21(25)29-22)14-31-20(32)24(30-23(31)33)13-7-10-16-9-3-5-11-17(16)24/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,30,33)(H3,25,26,27,28,29)/t24-/m1/s1
InChIKeyODHRRPDNFMWUKT-XMMPIXPASA-N
MW443.51 g/mol
LogP3.04
Rot. Bonds5

About (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

(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 (PubChem CID 51544112) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID51544112
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name(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
SMILESCCc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1
InChIInChI=1S/C24H25N7O2/c1-2-15-8-4-6-12-18(15)26-22-28-19(27-21(25)29-22)14-31-20(32)24(30-23(31)33)13-7-10-16-9-3-5-11-17(16)24/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,30,33)(H3,25,26,27,28,29)/t24-/m1/s1
InChIKeyODHRRPDNFMWUKT-XMMPIXPASA-N
XLogP3.04
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.04
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-ethylanilino)-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-methylanilino)-1,3,5-triazin-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 26918700
(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
(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
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970
(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
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8023134
(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
3'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 18147205

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1.
What is the InChIKey of (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?
The InChIKey is ODHRRPDNFMWUKT-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25N7O2/c1-2-15-8-4-6-12-18(15)26-22-28-19(27-21(25)29-22)14-31-20(32)24(30-23(31)33)13-7-10-16-9-3-5-11-17(16)24/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,30,33)(H3,25,26,27,28,29)/t24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 443.51 g/mol, XLogP of 3.04, 5 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-ethylanilino)-1,3,5-triazin-2-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 51544112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).