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

C18H25N7O3 — CID 2190720

IUPAC1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O3/c1-24(2)15-21-16(25-9-12-27-13-10-25)23-18(22-15)28-11-8-19-17(26)20-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,19,20,26)
InChIKeyPYSDDDLOLFMHOC-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.97
Rot. Bonds7

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

1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (PubChem CID 2190720) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
PubChem CID2190720
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O3/c1-24(2)15-21-16(25-9-12-27-13-10-25)23-18(22-15)28-11-8-19-17(26)20-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,19,20,26)
InChIKeyPYSDDDLOLFMHOC-UHFFFAOYSA-N
XLogP0.97
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
CID 2975111
1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 3589759
1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
CID 34888408
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(4-ethylphenyl)urea
CID 122254744
1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
CID 27396154
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
CID 23607173
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 122254842
1-[2-(methylamino)ethyl]-3-[4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]phenyl]urea
CID 44516005
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
benzyl N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylamino]-2-oxoethyl]carbamate
CID 122254862
1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea
CID 67441955

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (CID 2190720) is 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The InChIKey is PYSDDDLOLFMHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-24(2)15-21-16(25-9-12-27-13-10-25)23-18(22-15)28-11-8-19-17(26)20-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,19,20,26).
What are the key properties of 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea has a molecular weight of 387.44 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is sourced from PubChem (CID 2190720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).