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

C11H7ClF2N2OS — CID 172542410

IUPAC(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone
SMILESO=C(c1cc2cnc(Cl)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C11H7ClF2N2OS/c12-10-15-4-5-1-7(18-9(5)16-10)8(17)6-2-11(13,14)3-6/h1,4,6H,2-3H2
InChIKeyATKNXQMXHKTPHS-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.57
Rot. Bonds2

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

(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone (PubChem CID 172542410) has the molecular formula C11H7ClF2N2OS and a molecular weight of 288.71 g/mol. Its IUPAC name is (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone
PubChem CID172542410
Molecular FormulaC11H7ClF2N2OS
Molecular Weight288.71 g/mol
Exact Mass287.99
IUPAC Name(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone
SMILESO=C(c1cc2cnc(Cl)nc2s1)C1CC(F)(F)C1
InChIInChI=1S/C11H7ClF2N2OS/c12-10-15-4-5-1-7(18-9(5)16-10)8(17)6-2-11(13,14)3-6/h1,4,6H,2-3H2
InChIKeyATKNXQMXHKTPHS-UHFFFAOYSA-N
XLogP3.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone (CID 172542410) is (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone is O=C(c1cc2cnc(Cl)nc2s1)C1CC(F)(F)C1.
What is the InChIKey of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone?
The InChIKey is ATKNXQMXHKTPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2OS/c12-10-15-4-5-1-7(18-9(5)16-10)8(17)6-2-11(13,14)3-6/h1,4,6H,2-3H2.
What are the key properties of (2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone?
(2-chlorothieno[2,3-d]pyrimidin-6-yl)-(3,3-difluorocyclobutyl)methanone has a molecular weight of 288.71 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 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)methanone is sourced from PubChem (CID 172542410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).