6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

C25H35Cl3N8O3 — CID 67564040

IUPAC6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.COc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C15H16Cl3N3O2.C10H19N5O/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h3,5,8-10H,2,4,6-7H2,1H3;6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKeyPYSCUYTUDWOUCD-UHFFFAOYSA-N
MW601.97 g/mol
LogP6.12
Rot. Bonds11

About 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (PubChem CID 67564040) has the molecular formula C25H35Cl3N8O3 and a molecular weight of 601.97 g/mol. Its IUPAC name is 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
PubChem CID67564040
Molecular FormulaC25H35Cl3N8O3
Molecular Weight601.97 g/mol
Exact Mass600.19
IUPAC Name6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.COc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C15H16Cl3N3O2.C10H19N5O/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h3,5,8-10H,2,4,6-7H2,1H3;6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKeyPYSCUYTUDWOUCD-UHFFFAOYSA-N
XLogP6.12
TPSA119.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.97
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide with MolForge

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Related Compounds

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[3,5-dichloro-2-[2-[imidazole-1-carbonyl(propyl)amino]ethoxy]phenyl]chloranium
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cyclohexane;ethyl acetate;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
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CID 70342778
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CID 173012930
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N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632
(1-benzylimidazol-2-yl)methanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70059621
1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 87409963
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 67854902

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The IUPAC name of 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (CID 67564040) is 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The canonical SMILES for 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.COc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The InChIKey is PYSCUYTUDWOUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N3O2.C10H19N5O/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h3,5,8-10H,2,4,6-7H2,1H3;6-7H,1-5H3,(H2,11,12,13,14,15).
What are the key properties of 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide has a molecular weight of 601.97 g/mol, XLogP of 6.12, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 67564040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).