4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine

C11H12F2N4 — CID 171994855

IUPAC4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CC(C(F)F)C3)ncnc21
InChIInChI=1S/C11H12F2N4/c1-16-3-2-8-10(16)14-6-15-11(8)17-4-7(5-17)9(12)13/h2-3,6-7,9H,4-5H2,1H3
InChIKeyORHOJZDISDIZHU-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.67
Rot. Bonds2

About 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine

4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 171994855) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID171994855
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CC(C(F)F)C3)ncnc21
InChIInChI=1S/C11H12F2N4/c1-16-3-2-8-10(16)14-6-15-11(8)17-4-7(5-17)9(12)13/h2-3,6-7,9H,4-5H2,1H3
InChIKeyORHOJZDISDIZHU-UHFFFAOYSA-N
XLogP1.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine (CID 171994855) is 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine is Cn1ccc2c(N3CC(C(F)F)C3)ncnc21.
What is the InChIKey of 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is ORHOJZDISDIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-16-3-2-8-10(16)14-6-15-11(8)17-4-7(5-17)9(12)13/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 238.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)azetidin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 171994855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).