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

C6H6F3N5O2 — CID 11746646

IUPAC[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea
SMILESCOc1nc(NC(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N5O2/c1-16-5-12-2(6(7,8)9)11-4(14-5)13-3(10)15/h1H3,(H3,10,11,12,13,14,15)
InChIKeyMVRGPGBKLDXXSC-UHFFFAOYSA-N
MW237.14 g/mol
LogP0.39
Rot. Bonds2

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

[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea (PubChem CID 11746646) has the molecular formula C6H6F3N5O2 and a molecular weight of 237.14 g/mol. Its IUPAC name is [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea
PubChem CID11746646
Molecular FormulaC6H6F3N5O2
Molecular Weight237.14 g/mol
Exact Mass237.05
IUPAC Name[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea
SMILESCOc1nc(NC(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N5O2/c1-16-5-12-2(6(7,8)9)11-4(14-5)13-3(10)15/h1H3,(H3,10,11,12,13,14,15)
InChIKeyMVRGPGBKLDXXSC-UHFFFAOYSA-N
XLogP0.39
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea (CID 11746646) is [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea is COc1nc(NC(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea?
The InChIKey is MVRGPGBKLDXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N5O2/c1-16-5-12-2(6(7,8)9)11-4(14-5)13-3(10)15/h1H3,(H3,10,11,12,13,14,15).
What are the key properties of [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea?
[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea has a molecular weight of 237.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 11746646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).