4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C10H13FN4 — CID 134410675

IUPAC4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc2c(c(N3CC(F)C3)n1)CNC2
InChIInChI=1S/C10H13FN4/c1-6-13-9-3-12-2-8(9)10(14-6)15-4-7(11)5-15/h7,12H,2-5H2,1H3
InChIKeyOTTRABXTAKFHPJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.55
Rot. Bonds1

About 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 134410675) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID134410675
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc2c(c(N3CC(F)C3)n1)CNC2
InChIInChI=1S/C10H13FN4/c1-6-13-9-3-12-2-8(9)10(14-6)15-4-7(11)5-15/h7,12H,2-5H2,1H3
InChIKeyOTTRABXTAKFHPJ-UHFFFAOYSA-N
XLogP0.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 134410675) is 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc2c(c(N3CC(F)C3)n1)CNC2.
What is the InChIKey of 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is OTTRABXTAKFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c1-6-13-9-3-12-2-8(9)10(14-6)15-4-7(11)5-15/h7,12H,2-5H2,1H3.
What are the key properties of 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 208.24 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidin-1-yl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 134410675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).