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

C7H9F3N6O2 — CID 101142147

IUPAC[4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
SMILESCNc1nc(NC(N)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N6O2/c1-12-4-14-5(13-3(11)17)16-6(15-4)18-2-7(8,9)10/h2H2,1H3,(H4,11,12,13,14,15,16,17)
InChIKeyGFRGMDSOGPTEER-UHFFFAOYSA-N
MW266.18 g/mol
LogP0.34
Rot. Bonds4

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

[4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea (PubChem CID 101142147) has the molecular formula C7H9F3N6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
PubChem CID101142147
Molecular FormulaC7H9F3N6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name[4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
SMILESCNc1nc(NC(N)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N6O2/c1-12-4-14-5(13-3(11)17)16-6(15-4)18-2-7(8,9)10/h2H2,1H3,(H4,11,12,13,14,15,16,17)
InChIKeyGFRGMDSOGPTEER-UHFFFAOYSA-N
XLogP0.34
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea (CID 101142147) is [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea is CNc1nc(NC(N)=O)nc(OCC(F)(F)F)n1.
What is the InChIKey of [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The InChIKey is GFRGMDSOGPTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N6O2/c1-12-4-14-5(13-3(11)17)16-6(15-4)18-2-7(8,9)10/h2H2,1H3,(H4,11,12,13,14,15,16,17).
What are the key properties of [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
[4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea has a molecular weight of 266.18 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 101142147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).