1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol

C15H12F2N4OS — CID 172542308

IUPAC1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol
SMILESNc1ncc(-c2ccc3cc(C4(O)CC(F)(F)C4)sc3n2)cn1
InChIInChI=1S/C15H12F2N4OS/c16-15(17)6-14(22,7-15)11-3-8-1-2-10(21-12(8)23-11)9-4-19-13(18)20-5-9/h1-5,22H,6-7H2,(H2,18,19,20)
InChIKeyMFEGICAFQHLUCL-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.95
Rot. Bonds2

About 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol

1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol (PubChem CID 172542308) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol
PubChem CID172542308
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol
SMILESNc1ncc(-c2ccc3cc(C4(O)CC(F)(F)C4)sc3n2)cn1
InChIInChI=1S/C15H12F2N4OS/c16-15(17)6-14(22,7-15)11-3-8-1-2-10(21-12(8)23-11)9-4-19-13(18)20-5-9/h1-5,22H,6-7H2,(H2,18,19,20)
InChIKeyMFEGICAFQHLUCL-UHFFFAOYSA-N
XLogP2.95
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(11,13-Dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]methyl]-3-fluorophenyl]propan-2-ol
CID 166635749
1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
5-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
CID 172542222
3,3-Dimethyl-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542572
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
[5-Methyl-2-(3-pyridyl)-4-(3,4,5-trifluoroanilino)thieno[2,3-d]pyrimidin-6-yl]methanol
CID 129903510
3-[4-Amino-6-[(2-fluoro-3-pyridinyl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45275071
5-Fluoro-2-(thieno[2,3-b]pyridin-2-ylmethoxy)pyrimidin-4-amine
CID 57818690
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
Pyridin-2-yl-(1,3-thiazol-2-yl)-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
CID 67430304
1-Pyridin-3-yl-1-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethanol
CID 67432240

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol (CID 172542308) is 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol is Nc1ncc(-c2ccc3cc(C4(O)CC(F)(F)C4)sc3n2)cn1.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol?
The InChIKey is MFEGICAFQHLUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c16-15(17)6-14(22,7-15)11-3-8-1-2-10(21-12(8)23-11)9-4-19-13(18)20-5-9/h1-5,22H,6-7H2,(H2,18,19,20).
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol?
1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol has a molecular weight of 334.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)thieno[2,3-b]pyridin-2-yl]-3,3-difluorocyclobutan-1-ol is sourced from PubChem (CID 172542308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).