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

C15H21N7O2 — CID 34888408

IUPAC1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCOc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H21N7O2/c1-10-4-6-11(7-5-10)18-14(23)17-8-9-24-15-20-12(16)19-13(21-15)22(2)3/h4-7H,8-9H2,1-3H3,(H2,17,18,23)(H2,16,19,20,21)
InChIKeyCWYZZWBZOLXTQI-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.03
Rot. Bonds6

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

1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea (PubChem CID 34888408) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
PubChem CID34888408
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCOc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H21N7O2/c1-10-4-6-11(7-5-10)18-14(23)17-8-9-24-15-20-12(16)19-13(21-15)22(2)3/h4-7H,8-9H2,1-3H3,(H2,17,18,23)(H2,16,19,20,21)
InChIKeyCWYZZWBZOLXTQI-UHFFFAOYSA-N
XLogP1.03
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
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-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
CID 27396154
1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 3589759
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
CID 2190946
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 112976924
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea (CID 34888408) is 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCCOc2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea?
The InChIKey is CWYZZWBZOLXTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-10-4-6-11(7-5-10)18-14(23)17-8-9-24-15-20-12(16)19-13(21-15)22(2)3/h4-7H,8-9H2,1-3H3,(H2,17,18,23)(H2,16,19,20,21).
What are the key properties of 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea?
1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea has a molecular weight of 331.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 34888408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).