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

C16H12F3N3OS — CID 172542203

IUPAC1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(-c4cccnc4)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-15(23,6-11)12-4-10-8-21-13(22-14(10)24-12)9-2-1-3-20-7-9/h1-4,7-8,11,23H,5-6H2
InChIKeyFTDABSBBJFCJNM-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.91
Rot. Bonds2

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

1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542203) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542203
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(-c4cccnc4)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-15(23,6-11)12-4-10-8-21-13(22-14(10)24-12)9-2-1-3-20-7-9/h1-4,7-8,11,23H,5-6H2
InChIKeyFTDABSBBJFCJNM-UHFFFAOYSA-N
XLogP3.91
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
6-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 174714950
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58236116
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
[4-(1-adamantyl)-2-pyridin-3-ylphenyl] trifluoromethanesulfonate
CID 169054814
5-bromo-2-pyridin-3-ylpyrimidin-4-amine
CID 66302850
2-pyridin-3-yl-8,9-dihydro-7H-purine
CID 67148463
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 71690948
1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
CID 81197260
N,7,7-trimethyl-2-pyridin-3-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009705
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542203) is 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol is OC1(c2cc3cnc(-c4cccnc4)nc3s2)CC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is FTDABSBBJFCJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-15(23,6-11)12-4-10-8-21-13(22-14(10)24-12)9-2-1-3-20-7-9/h1-4,7-8,11,23H,5-6H2.
What are the key properties of 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 351.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).