2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

C18H16F3N7OS — CID 164855166

IUPAC2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2cc(-c3nc(N)nc4cc(C(F)(F)F)sc34)nn2)n1
InChIInChI=1S/C18H16F3N7OS/c1-17(2,29)12-5-3-4-9(23-12)7-28-8-11(26-27-28)14-15-10(24-16(22)25-14)6-13(30-15)18(19,20)21/h3-6,8,29H,7H2,1-2H3,(H2,22,24,25)
InChIKeyWWGTVGIHWSTDQV-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.22
Rot. Bonds4

About 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol

2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 164855166) has the molecular formula C18H16F3N7OS and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
PubChem CID164855166
Molecular FormulaC18H16F3N7OS
Molecular Weight435.44 g/mol
Exact Mass435.11
IUPAC Name2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2cc(-c3nc(N)nc4cc(C(F)(F)F)sc34)nn2)n1
InChIInChI=1S/C18H16F3N7OS/c1-17(2,29)12-5-3-4-9(23-12)7-28-8-11(26-27-28)14-15-10(24-16(22)25-14)6-13(30-15)18(19,20)21/h3-6,8,29H,7H2,1-2H3,(H2,22,24,25)
InChIKeyWWGTVGIHWSTDQV-UHFFFAOYSA-N
XLogP3.22
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 164855166) is 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cn2cc(-c3nc(N)nc4cc(C(F)(F)F)sc34)nn2)n1.
What is the InChIKey of 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is WWGTVGIHWSTDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7OS/c1-17(2,29)12-5-3-4-9(23-12)7-28-8-11(26-27-28)14-15-10(24-16(22)25-14)6-13(30-15)18(19,20)21/h3-6,8,29H,7H2,1-2H3,(H2,22,24,25).
What are the key properties of 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 435.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-[2-amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 164855166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).