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

C16H23N7O2 — CID 658880

IUPAC1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C16H23N7O2/c1-22(2)13-19-14(23(3)4)21-16(20-13)25-11-10-17-15(24)18-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,18,24)
InChIKeyLWLOTPVFYRBKSO-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.20
Rot. Bonds7

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

1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (PubChem CID 658880) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
PubChem CID658880
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C16H23N7O2/c1-22(2)13-19-14(23(3)4)21-16(20-13)25-11-10-17-15(24)18-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,18,24)
InChIKeyLWLOTPVFYRBKSO-UHFFFAOYSA-N
XLogP1.20
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.20
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

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
1-(2-((4,6-Bis(diethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 4364919
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351
2-[[4-(2-Fluoroanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 3146877

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (CID 658880) is 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is CN(C)c1nc(OCCNC(=O)Nc2ccccc2)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-phenylurea?
The InChIKey is LWLOTPVFYRBKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-22(2)13-19-14(23(3)4)21-16(20-13)25-11-10-17-15(24)18-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,18,24).
What are the key properties of 1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea has a molecular weight of 345.41 g/mol, XLogP of 1.20, 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-phenylurea is sourced from PubChem (CID 658880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).