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

C15H17F3N6O2 — CID 122253099

IUPAC1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1nc(CNC(=O)Nc2ccccc2C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C15H17F3N6O2/c1-24(2)12-21-11(22-14(23-12)26-3)8-19-13(25)20-10-7-5-4-6-9(10)15(16,17)18/h4-7H,8H2,1-3H3,(H2,19,20,25)
InChIKeyOOFWVOQTNTUVFA-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.29
Rot. Bonds5

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

1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 122253099) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID122253099
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOc1nc(CNC(=O)Nc2ccccc2C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C15H17F3N6O2/c1-24(2)12-21-11(22-14(23-12)26-3)8-19-13(25)20-10-7-5-4-6-9(10)15(16,17)18/h4-7H,8H2,1-3H3,(H2,19,20,25)
InChIKeyOOFWVOQTNTUVFA-UHFFFAOYSA-N
XLogP2.29
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 122252907
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 121137397
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 121137624
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353945
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-(2-methylphenyl)urea
CID 122253456
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 122252963
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122293803

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 122253099) is 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea is COc1nc(CNC(=O)Nc2ccccc2C(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is OOFWVOQTNTUVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-24(2)12-21-11(22-14(23-12)26-3)8-19-13(25)20-10-7-5-4-6-9(10)15(16,17)18/h4-7H,8H2,1-3H3,(H2,19,20,25).
What are the key properties of 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 370.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122253099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).