1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea

C16H21Cl2N7O2 — CID 27396154

IUPAC1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C16H21Cl2N7O2/c1-24(2)13-21-14(25(3)4)23-16(22-13)27-8-7-19-15(26)20-10-5-6-11(17)12(18)9-10/h5-6,9H,7-8H2,1-4H3,(H2,19,20,26)
InChIKeyCURVWQMKOFBPMS-UHFFFAOYSA-N
MW414.30 g/mol
LogP2.51
Rot. Bonds7

About 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea

1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 27396154) has the molecular formula C16H21Cl2N7O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
PubChem CID27396154
Molecular FormulaC16H21Cl2N7O2
Molecular Weight414.30 g/mol
Exact Mass413.11
IUPAC Name1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C16H21Cl2N7O2/c1-24(2)13-21-14(25(3)4)23-16(22-13)27-8-7-19-15(26)20-10-5-6-11(17)12(18)9-10/h5-6,9H,7-8H2,1-4H3,(H2,19,20,26)
InChIKeyCURVWQMKOFBPMS-UHFFFAOYSA-N
XLogP2.51
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea with MolForge

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Related Compounds

1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
CID 34888408
1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 3589759
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 5202458
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 112976924
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
CID 17466807

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea (CID 27396154) is 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea is CN(C)c1nc(OCCNC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1.
What is the InChIKey of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is CURVWQMKOFBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N7O2/c1-24(2)13-21-14(25(3)4)23-16(22-13)27-8-7-19-15(26)20-10-5-6-11(17)12(18)9-10/h5-6,9H,7-8H2,1-4H3,(H2,19,20,26).
What are the key properties of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea?
1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 414.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 27396154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).