(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol

C16H14F2N4OS — CID 172542037

IUPAC(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol
SMILESNc1c([C@H](O)C2CC(F)(F)C2)sc2nc(-c3cncnc3)ccc12
InChIInChI=1S/C16H14F2N4OS/c17-16(18)3-8(4-16)13(23)14-12(19)10-1-2-11(22-15(10)24-14)9-5-20-7-21-6-9/h1-2,5-8,13,23H,3-4,19H2/t13-/m1/s1
InChIKeyNECGASGQTIGFJA-CYBMUJFWSA-N
MW348.38 g/mol
LogP3.41
Rot. Bonds3

About (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol

(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol (PubChem CID 172542037) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol.

Molecular Properties

Compound Name(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol
PubChem CID172542037
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol
SMILESNc1c([C@H](O)C2CC(F)(F)C2)sc2nc(-c3cncnc3)ccc12
InChIInChI=1S/C16H14F2N4OS/c17-16(18)3-8(4-16)13(23)14-12(19)10-1-2-11(22-15(10)24-14)9-5-20-7-21-6-9/h1-2,5-8,13,23H,3-4,19H2/t13-/m1/s1
InChIKeyNECGASGQTIGFJA-CYBMUJFWSA-N
XLogP3.41
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol with MolForge

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

Launch Full Analysis

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
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanol
CID 155550854
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
[5-Methyl-2-(3-pyridyl)-4-(3,4,5-trifluoroanilino)thieno[2,3-d]pyrimidin-6-yl]methanol
CID 129903510
2-(Tetrahydropyran-4-ylamino)-6-[(2-fluorophenyl)hydroxylmethyl]thieno[2,3-d]pyrimidine
CID 10172384
3-[4-Amino-6-[(2-fluoro-3-pyridinyl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45275071
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
Pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
CID 67431083
2-[[3-Amino-1-[4-(trifluoromethyl)thiophen-2-yl]piperidin-4-yl]amino]-1-(6-pyrimidin-5-yl-3-pyridinyl)ethanol
CID 69570093
(2-Fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
CID 71054297
1-[3-[5-(2-Chloropyrimidin-4-yl)-2-(fluoromethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 89199116

Frequently Asked Questions

What is the IUPAC name of (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol?
The IUPAC name of (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol (CID 172542037) is (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol.
What is the SMILES notation for (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol?
The canonical SMILES for (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol is Nc1c([C@H](O)C2CC(F)(F)C2)sc2nc(-c3cncnc3)ccc12.
What is the InChIKey of (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol?
The InChIKey is NECGASGQTIGFJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c17-16(18)3-8(4-16)13(23)14-12(19)10-1-2-11(22-15(10)24-14)9-5-20-7-21-6-9/h1-2,5-8,13,23H,3-4,19H2/t13-/m1/s1.
What are the key properties of (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol?
(R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol has a molecular weight of 348.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-amino-6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanol is sourced from PubChem (CID 172542037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).