4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine

C11H11F2N3O — CID 126954096

IUPAC4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC1(F)CC(COc2ncnc3[nH]ccc23)C1
InChIInChI=1S/C11H11F2N3O/c12-11(13)3-7(4-11)5-17-10-8-1-2-14-9(8)15-6-16-10/h1-2,6-7H,3-5H2,(H,14,15,16)
InChIKeyJDHHWMWCMKAQJY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.38
Rot. Bonds3

About 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine

4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126954096) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126954096
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC1(F)CC(COc2ncnc3[nH]ccc23)C1
InChIInChI=1S/C11H11F2N3O/c12-11(13)3-7(4-11)5-17-10-8-1-2-14-9(8)15-6-16-10/h1-2,6-7H,3-5H2,(H,14,15,16)
InChIKeyJDHHWMWCMKAQJY-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine (CID 126954096) is 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine is FC1(F)CC(COc2ncnc3[nH]ccc23)C1.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JDHHWMWCMKAQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-11(13)3-7(4-11)5-17-10-8-1-2-14-9(8)15-6-16-10/h1-2,6-7H,3-5H2,(H,14,15,16).
What are the key properties of 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine?
4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 239.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)methoxy]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126954096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).