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

C18H19FN4O — CID 165396006

IUPAC2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(C(N)=O)c(F)c3)n1)CCC2
InChIInChI=1S/C18H19FN4O/c1-10-7-8-23(10)18-21-15-4-2-3-13(15)16(22-18)11-5-6-12(17(20)24)14(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,24)/t10-/m0/s1
InChIKeyRLKHPSABNLNKRI-JTQLQIEISA-N
MW326.38 g/mol
LogP2.47
Rot. Bonds3

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

2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (PubChem CID 165396006) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
PubChem CID165396006
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(C(N)=O)c(F)c3)n1)CCC2
InChIInChI=1S/C18H19FN4O/c1-10-7-8-23(10)18-21-15-4-2-3-13(15)16(22-18)11-5-6-12(17(20)24)14(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,24)/t10-/m0/s1
InChIKeyRLKHPSABNLNKRI-JTQLQIEISA-N
XLogP2.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide (CID 165396006) is 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is C[C@H]1CCN1c1nc2c(c(-c3ccc(C(N)=O)c(F)c3)n1)CCC2.
What is the InChIKey of 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
The InChIKey is RLKHPSABNLNKRI-JTQLQIEISA-N. The full InChI is InChI=1S/C18H19FN4O/c1-10-7-8-23(10)18-21-15-4-2-3-13(15)16(22-18)11-5-6-12(17(20)24)14(19)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,20,24)/t10-/m0/s1.
What are the key properties of 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide?
2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide has a molecular weight of 326.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 165396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).