2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide

C18H18F2N4O — CID 165396299

IUPAC2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3cc(F)c(C(N)=O)c(F)c3)n1)CCC2
InChIInChI=1S/C18H18F2N4O/c1-9-5-6-24(9)18-22-14-4-2-3-11(14)16(23-18)10-7-12(19)15(17(21)25)13(20)8-10/h7-9H,2-6H2,1H3,(H2,21,25)/t9-/m0/s1
InChIKeyYHLDUUHRVIINCI-VIFPVBQESA-N
MW344.37 g/mol
LogP2.61
Rot. Bonds3

About 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide

2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (PubChem CID 165396299) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
PubChem CID165396299
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3cc(F)c(C(N)=O)c(F)c3)n1)CCC2
InChIInChI=1S/C18H18F2N4O/c1-9-5-6-24(9)18-22-14-4-2-3-11(14)16(23-18)10-7-12(19)15(17(21)25)13(20)8-10/h7-9H,2-6H2,1H3,(H2,21,25)/t9-/m0/s1
InChIKeyYHLDUUHRVIINCI-VIFPVBQESA-N
XLogP2.61
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (CID 165396299) is 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is C[C@H]1CCN1c1nc2c(c(-c3cc(F)c(C(N)=O)c(F)c3)n1)CCC2.
What is the InChIKey of 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The InChIKey is YHLDUUHRVIINCI-VIFPVBQESA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-9-5-6-24(9)18-22-14-4-2-3-11(14)16(23-18)10-7-12(19)15(17(21)25)13(20)8-10/h7-9H,2-6H2,1H3,(H2,21,25)/t9-/m0/s1.
What are the key properties of 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 165396299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).