[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea

C8H11F3N6O2 — CID 23039279

IUPAC[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
SMILESCN(C)c1nc(NC(N)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N6O2/c1-17(2)6-14-5(13-4(12)18)15-7(16-6)19-3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14,15,16,18)
InChIKeyYJPXNZXGNKUQPR-UHFFFAOYSA-N
MW280.21 g/mol
LogP0.37
Rot. Bonds4

About [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea

[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea (PubChem CID 23039279) has the molecular formula C8H11F3N6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
PubChem CID23039279
Molecular FormulaC8H11F3N6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
SMILESCN(C)c1nc(NC(N)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N6O2/c1-17(2)6-14-5(13-4(12)18)15-7(16-6)19-3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14,15,16,18)
InChIKeyYJPXNZXGNKUQPR-UHFFFAOYSA-N
XLogP0.37
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
Stk076603
CID 1375559
N-(4-Amino-6-ethoxy-1,3,5-triazin-2-yl)urea
CID 13296069
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 19777640
4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777647
2-N-methyl-6-(1,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 19870950
2-N,2-N-dimethyl-6-(1,2,2,2-tetrafluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 53960150
[4-Methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
CID 57148636
N-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-1-sulfamoylformamide
CID 141361223
2-N,2-N-dimethyl-6-(1,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 174564300
N,N'-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 1375558

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea (CID 23039279) is [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea is CN(C)c1nc(NC(N)=O)nc(OCC(F)(F)F)n1.
What is the InChIKey of [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The InChIKey is YJPXNZXGNKUQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N6O2/c1-17(2)6-14-5(13-4(12)18)15-7(16-6)19-3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14,15,16,18).
What are the key properties of [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea has a molecular weight of 280.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 23039279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).