3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol

C8H11F3N4O3 — CID 103702778

IUPAC3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCOc1nc(NCC(O)C(F)(F)F)nc(OC)n1
InChIInChI=1S/C8H11F3N4O3/c1-17-6-13-5(14-7(15-6)18-2)12-3-4(16)8(9,10)11/h4,16H,3H2,1-2H3,(H,12,13,14,15)
InChIKeyBBULZYFLRUDKRQ-UHFFFAOYSA-N
MW268.19 g/mol
LogP0.22
Rot. Bonds5

About 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103702778) has the molecular formula C8H11F3N4O3 and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103702778
Molecular FormulaC8H11F3N4O3
Molecular Weight268.19 g/mol
Exact Mass268.08
IUPAC Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCOc1nc(NCC(O)C(F)(F)F)nc(OC)n1
InChIInChI=1S/C8H11F3N4O3/c1-17-6-13-5(14-7(15-6)18-2)12-3-4(16)8(9,10)11/h4,16H,3H2,1-2H3,(H,12,13,14,15)
InChIKeyBBULZYFLRUDKRQ-UHFFFAOYSA-N
XLogP0.22
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103702778) is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol is COc1nc(NCC(O)C(F)(F)F)nc(OC)n1.
What is the InChIKey of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BBULZYFLRUDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O3/c1-17-6-13-5(14-7(15-6)18-2)12-3-4(16)8(9,10)11/h4,16H,3H2,1-2H3,(H,12,13,14,15).
What are the key properties of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 268.19 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103702778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).