4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H17F2N5 — CID 165396867

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCN1c1nc2c(c(-c3cnn(C(F)F)c3)n1)CCC2
InChIInChI=1S/C15H17F2N5/c1-9-5-6-21(9)15-19-12-4-2-3-11(12)13(20-15)10-7-18-22(8-10)14(16)17/h7-9,14H,2-6H2,1H3/t9-/m0/s1
InChIKeyFKMUBUDIWPUDSP-VIFPVBQESA-N
MW305.33 g/mol
LogP2.82
Rot. Bonds3

About 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 165396867) has the molecular formula C15H17F2N5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID165396867
Molecular FormulaC15H17F2N5
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCN1c1nc2c(c(-c3cnn(C(F)F)c3)n1)CCC2
InChIInChI=1S/C15H17F2N5/c1-9-5-6-21(9)15-19-12-4-2-3-11(12)13(20-15)10-7-18-22(8-10)14(16)17/h7-9,14H,2-6H2,1H3/t9-/m0/s1
InChIKeyFKMUBUDIWPUDSP-VIFPVBQESA-N
XLogP2.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 165396867) is 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@H]1CCN1c1nc2c(c(-c3cnn(C(F)F)c3)n1)CCC2.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FKMUBUDIWPUDSP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17F2N5/c1-9-5-6-21(9)15-19-12-4-2-3-11(12)13(20-15)10-7-18-22(8-10)14(16)17/h7-9,14H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 305.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 165396867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).