(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol

C11H9ClF2N2OS — CID 172542480

IUPAC(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol
SMILESOC(c1cc2cnc(Cl)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C11H9ClF2N2OS/c12-10-15-4-5-1-7(18-9(5)16-10)8(17)6-2-11(13,14)3-6/h1,4,6,8,17H,2-3H2
InChIKeyFAODREAHGSOCAE-UHFFFAOYSA-N
MW290.72 g/mol
LogP3.42
Rot. Bonds2

About (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol

(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol (PubChem CID 172542480) has the molecular formula C11H9ClF2N2OS and a molecular weight of 290.72 g/mol. Its IUPAC name is (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol.

Molecular Properties

Compound Name(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol
PubChem CID172542480
Molecular FormulaC11H9ClF2N2OS
Molecular Weight290.72 g/mol
Exact Mass290.01
IUPAC Name(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol
SMILESOC(c1cc2cnc(Cl)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C11H9ClF2N2OS/c12-10-15-4-5-1-7(18-9(5)16-10)8(17)6-2-11(13,14)3-6/h1,4,6,8,17H,2-3H2
InChIKeyFAODREAHGSOCAE-UHFFFAOYSA-N
XLogP3.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
2-(Tetrahydropyran-4-ylamino)-6-[(2-fluorophenyl)hydroxylmethyl]thieno[2,3-d]pyrimidine
CID 10172384
(2-Fluorophenyl)-[2-(heptan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]methanol
CID 71054297
(4-Chlorothieno[2,3-d]pyrimidin-6-yl)-(2,6-difluorophenyl)methanol
CID 88119554
6-[2-Chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-6-azaspiro[3.4]octan-2-ol
CID 162573804
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
(S)-(3,3-difluorocyclobutyl)-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)methanol
CID 172542078
1-[2-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)thieno[2,3-d]pyrimidin-6-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542192
1-(2-Chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542201
1-(2-Pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542203

Frequently Asked Questions

What is the IUPAC name of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol?
The IUPAC name of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol (CID 172542480) is (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol.
What is the SMILES notation for (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol?
The canonical SMILES for (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol is OC(c1cc2cnc(Cl)nc2s1)C1CC(F)(F)C1.
What is the InChIKey of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol?
The InChIKey is FAODREAHGSOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2OS/c12-10-15-4-5-1-7(18-9(5)16-10)8(17)6-2-11(13,14)3-6/h1,4,6,8,17H,2-3H2.
What are the key properties of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol?
(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol has a molecular weight of 290.72 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanol is sourced from PubChem (CID 172542480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).