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

C19H19F3N4O — CID 165397019

IUPAC4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(C(N)=O)c(C(F)(F)F)c3)n1)CCC2
InChIInChI=1S/C19H19F3N4O/c1-10-7-8-26(10)18-24-15-4-2-3-13(15)16(25-18)11-5-6-12(17(23)27)14(9-11)19(20,21)22/h5-6,9-10H,2-4,7-8H2,1H3,(H2,23,27)/t10-/m0/s1
InChIKeyVFZDNYSGULLISY-JTQLQIEISA-N
MW376.38 g/mol
LogP3.35
Rot. Bonds3

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

4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 165397019) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID165397019
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(C(N)=O)c(C(F)(F)F)c3)n1)CCC2
InChIInChI=1S/C19H19F3N4O/c1-10-7-8-26(10)18-24-15-4-2-3-13(15)16(25-18)11-5-6-12(17(23)27)14(9-11)19(20,21)22/h5-6,9-10H,2-4,7-8H2,1H3,(H2,23,27)/t10-/m0/s1
InChIKeyVFZDNYSGULLISY-JTQLQIEISA-N
XLogP3.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide (CID 165397019) is 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide is C[C@H]1CCN1c1nc2c(c(-c3ccc(C(N)=O)c(C(F)(F)F)c3)n1)CCC2.
What is the InChIKey of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is VFZDNYSGULLISY-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-10-7-8-26(10)18-24-15-4-2-3-13(15)16(25-18)11-5-6-12(17(23)27)14(9-11)19(20,21)22/h5-6,9-10H,2-4,7-8H2,1H3,(H2,23,27)/t10-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide?
4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 376.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 165397019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).