1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea

C15H20N6O2S — CID 3589759

IUPAC1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCSc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C15H20N6O2S/c1-21(2)12-18-14(20-15(19-12)24-3)23-10-9-16-13(22)17-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,16,17,22)
InChIKeySDXSDPAWVJAAKE-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.86
Rot. Bonds7

About 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea

1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (PubChem CID 3589759) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
PubChem CID3589759
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCSc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C15H20N6O2S/c1-21(2)12-18-14(20-15(19-12)24-3)23-10-9-16-13(22)17-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,16,17,22)
InChIKeySDXSDPAWVJAAKE-UHFFFAOYSA-N
XLogP1.86
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
CID 34888408
1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
CID 27396154
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
CID 2975111
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (CID 3589759) is 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is CSc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The InChIKey is SDXSDPAWVJAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-21(2)12-18-14(20-15(19-12)24-3)23-10-9-16-13(22)17-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,16,17,22).
What are the key properties of 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea has a molecular weight of 348.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is sourced from PubChem (CID 3589759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).