6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one

C20H21FN4O — CID 165396707

IUPAC6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one
SMILESC[C@H]1[C@H](F)CN1c1nc2c(c(-c3ccc4c(c3)C(=O)N(C)C4)n1)CCC2
InChIInChI=1S/C20H21FN4O/c1-11-16(21)10-25(11)20-22-17-5-3-4-14(17)18(23-20)12-6-7-13-9-24(2)19(26)15(13)8-12/h6-8,11,16H,3-5,9-10H2,1-2H3/t11-,16+/m0/s1
InChIKeyHMUYNODDVNAXPO-MEDUHNTESA-N
MW352.41 g/mol
LogP2.76
Rot. Bonds2

About 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one

6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one (PubChem CID 165396707) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one
PubChem CID165396707
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one
SMILESC[C@H]1[C@H](F)CN1c1nc2c(c(-c3ccc4c(c3)C(=O)N(C)C4)n1)CCC2
InChIInChI=1S/C20H21FN4O/c1-11-16(21)10-25(11)20-22-17-5-3-4-14(17)18(23-20)12-6-7-13-9-24(2)19(26)15(13)8-12/h6-8,11,16H,3-5,9-10H2,1-2H3/t11-,16+/m0/s1
InChIKeyHMUYNODDVNAXPO-MEDUHNTESA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one (CID 165396707) is 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one is C[C@H]1[C@H](F)CN1c1nc2c(c(-c3ccc4c(c3)C(=O)N(C)C4)n1)CCC2.
What is the InChIKey of 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one?
The InChIKey is HMUYNODDVNAXPO-MEDUHNTESA-N. The full InChI is InChI=1S/C20H21FN4O/c1-11-16(21)10-25(11)20-22-17-5-3-4-14(17)18(23-20)12-6-7-13-9-24(2)19(26)15(13)8-12/h6-8,11,16H,3-5,9-10H2,1-2H3/t11-,16+/m0/s1.
What are the key properties of 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one?
6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one has a molecular weight of 352.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 165396707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).