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

C7H8F3N5O3 — CID 57148636

IUPAC[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
SMILESCOc1nc(NC(N)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N5O3/c1-17-5-13-4(12-3(11)16)14-6(15-5)18-2-7(8,9)10/h2H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyTUIXTTGZWUUKCG-UHFFFAOYSA-N
MW267.17 g/mol
LogP0.31
Rot. Bonds4

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

[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea (PubChem CID 57148636) has the molecular formula C7H8F3N5O3 and a molecular weight of 267.17 g/mol. Its IUPAC name is [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
PubChem CID57148636
Molecular FormulaC7H8F3N5O3
Molecular Weight267.17 g/mol
Exact Mass267.06
IUPAC Name[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
SMILESCOc1nc(NC(N)=O)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H8F3N5O3/c1-17-5-13-4(12-3(11)16)14-6(15-5)18-2-7(8,9)10/h2H2,1H3,(H3,11,12,13,14,15,16)
InChIKeyTUIXTTGZWUUKCG-UHFFFAOYSA-N
XLogP0.31
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-methoxy-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
6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
N-(4-Amino-6-ethoxy-1,3,5-triazin-2-yl)urea
CID 13296069
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
4-[Chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
CID 15010396
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

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea (CID 57148636) is [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea is COc1nc(NC(N)=O)nc(OCC(F)(F)F)n1.
What is the InChIKey of [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
The InChIKey is TUIXTTGZWUUKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O3/c1-17-5-13-4(12-3(11)16)14-6(15-5)18-2-7(8,9)10/h2H2,1H3,(H3,11,12,13,14,15,16).
What are the key properties of [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea?
[4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea has a molecular weight of 267.17 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 57148636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).