5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione

C15H16ClN7O2 — CID 47011236

IUPAC5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C15H16ClN7O2/c1-2-15(8-3-5-9(16)6-4-8)11(24)23(14(25)22-15)7-10-19-12(17)21-13(18)20-10/h3-6H,2,7H2,1H3,(H,22,25)(H4,17,18,19,20,21)
InChIKeyJIXGGQNYMPVHJD-UHFFFAOYSA-N
MW361.79 g/mol
LogP1.05
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione (PubChem CID 47011236) has the molecular formula C15H16ClN7O2 and a molecular weight of 361.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione
PubChem CID47011236
Molecular FormulaC15H16ClN7O2
Molecular Weight361.79 g/mol
Exact Mass361.11
IUPAC Name5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O
InChIInChI=1S/C15H16ClN7O2/c1-2-15(8-3-5-9(16)6-4-8)11(24)23(14(25)22-15)7-10-19-12(17)21-13(18)20-10/h3-6H,2,7H2,1H3,(H,22,25)(H4,17,18,19,20,21)
InChIKeyJIXGGQNYMPVHJD-UHFFFAOYSA-N
XLogP1.05
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-benzyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 9451754
(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
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004
5-(4-chlorophenyl)-5-ethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46528627
(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 41136126
5-(4-chlorophenyl)-5-ethyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 4881082
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
(5R)-3-[(2,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181312
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4832172
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione (CID 47011236) is 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is JIXGGQNYMPVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O2/c1-2-15(8-3-5-9(16)6-4-8)11(24)23(14(25)22-15)7-10-19-12(17)21-13(18)20-10/h3-6H,2,7H2,1H3,(H,22,25)(H4,17,18,19,20,21).
What are the key properties of 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 361.79 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 47011236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).