2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C22H22N4 — CID 165396811

IUPAC2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(-c4ccccc4)nc3)n1)CCC2
InChIInChI=1S/C22H22N4/c1-15-12-13-26(15)22-24-20-9-5-8-18(20)21(25-22)17-10-11-19(23-14-17)16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyCYEBNYNPRSDMAB-HNNXBMFYSA-N
MW342.45 g/mol
LogP4.29
Rot. Bonds3

About 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 165396811) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID165396811
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccc(-c4ccccc4)nc3)n1)CCC2
InChIInChI=1S/C22H22N4/c1-15-12-13-26(15)22-24-20-9-5-8-18(20)21(25-22)17-10-11-19(23-14-17)16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3/t15-/m0/s1
InChIKeyCYEBNYNPRSDMAB-HNNXBMFYSA-N
XLogP4.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 165396811) is 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@H]1CCN1c1nc2c(c(-c3ccc(-c4ccccc4)nc3)n1)CCC2.
What is the InChIKey of 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is CYEBNYNPRSDMAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-12-13-26(15)22-24-20-9-5-8-18(20)21(25-22)17-10-11-19(23-14-17)16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15H,5,8-9,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 342.45 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 165396811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).