1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea

C18H21F4N7O2 — CID 121138087

IUPAC1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)c1nc(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21F4N7O2/c1-28(2)15-25-14(26-16(27-15)29-3-5-31-6-4-29)10-23-17(30)24-13-8-11(18(20,21)22)7-12(19)9-13/h7-9H,3-6,10H2,1-2H3,(H2,23,24,30)
InChIKeyHUPFDDWEBZQEQA-UHFFFAOYSA-N
MW443.41 g/mol
LogP2.25
Rot. Bonds5

About 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea

1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 121138087) has the molecular formula C18H21F4N7O2 and a molecular weight of 443.41 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
PubChem CID121138087
Molecular FormulaC18H21F4N7O2
Molecular Weight443.41 g/mol
Exact Mass443.17
IUPAC Name1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)c1nc(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21F4N7O2/c1-28(2)15-25-14(26-16(27-15)29-3-5-31-6-4-29)10-23-17(30)24-13-8-11(18(20,21)22)7-12(19)9-13/h7-9H,3-6,10H2,1-2H3,(H2,23,24,30)
InChIKeyHUPFDDWEBZQEQA-UHFFFAOYSA-N
XLogP2.25
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea 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-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(4-ethylphenyl)urea
CID 122254744
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 122254787
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122254858
2-(2,4-difluorophenyl)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]acetamide
CID 122254848
1-(3,4-difluorophenyl)-3-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]urea
CID 122254255
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 72863043
1-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122254254
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylphenyl)urea
CID 122254472
2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
CID 122254715
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 122254526
(E)-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 121138116
3-cyclohexyl-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]propanamide
CID 122254698

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea (CID 121138087) is 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea is CN(C)c1nc(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is HUPFDDWEBZQEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N7O2/c1-28(2)15-25-14(26-16(27-15)29-3-5-31-6-4-29)10-23-17(30)24-13-8-11(18(20,21)22)7-12(19)9-13/h7-9H,3-6,10H2,1-2H3,(H2,23,24,30).
What are the key properties of 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea?
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 443.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 121138087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).