1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol

C17H12F3N5OS — CID 172542165

IUPAC1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(-c4cnc5nccn5c4)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C17H12F3N5OS/c18-17(19,20)11-4-16(26,5-11)12-3-9-6-22-13(24-14(9)27-12)10-7-23-15-21-1-2-25(15)8-10/h1-3,6-8,11,26H,4-5H2
InChIKeyAQXMPLBKTDOHKW-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.56
Rot. Bonds2

About 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol

1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542165) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542165
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC Name1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(-c4cnc5nccn5c4)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C17H12F3N5OS/c18-17(19,20)11-4-16(26,5-11)12-3-9-6-22-13(24-14(9)27-12)10-7-23-15-21-1-2-25(15)8-10/h1-3,6-8,11,26H,4-5H2
InChIKeyAQXMPLBKTDOHKW-UHFFFAOYSA-N
XLogP3.56
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
(4-Fluorophenyl)(6-methyl-4-(1-methyl-1H-imidazol-4-ylamino)thieno[2,3-d]pyrimidin-2-yl)methanol
CID 56928543
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
1-[2-([1,2,4]Triazolo[4,3-a]pyrimidin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542036
(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol
CID 172542037
1-[2-(1-Methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542041
3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542056
(3,3-Difluorocyclobutyl)-[6-(2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542058
(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542064
2,2-Difluoro-5-[2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-6-yl]spiro[2.3]hexan-5-ol
CID 172542066
1-[6-(2-Ethylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol
CID 172542075

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542165) is 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol is OC1(c2cc3cnc(-c4cnc5nccn5c4)nc3s2)CC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is AQXMPLBKTDOHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c18-17(19,20)11-4-16(26,5-11)12-3-9-6-22-13(24-14(9)27-12)10-7-23-15-21-1-2-25(15)8-10/h1-3,6-8,11,26H,4-5H2.
What are the key properties of 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 391.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyrimidin-6-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).