(2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol

C20H21N5O — CID 165396074

About (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol

(2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol (PubChem CID 165396074) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol.

Molecular Properties

• Compound Name: (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
• PubChem CID: 165396074
• Molecular Formula: C20H21N5O
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.17
• IUPAC Name: (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
• SMILES: C[C@H]1[C@H](O)CN1c1nc2c(c(-c3ccc(-c4ncc[nH]4)cc3)n1)CCC2
• InChI: InChI=1S/C20H21N5O/c1-12-17(26)11-25(12)20-23-16-4-2-3-15(16)18(24-20)13-5-7-14(8-6-13)19-21-9-10-22-19/h5-10,12,17,26H,2-4,11H2,1H3,(H,21,22)/t12-,17+/m0/s1
• InChIKey: UOJKXFHQVGETFR-YVEFUNNKSA-N
• XLogP: 2.59
• TPSA: 77.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?

The IUPAC name of (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol (CID 165396074) is (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol.

What is the SMILES notation for (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?

The canonical SMILES for (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol is C[C@H]1[C@H](O)CN1c1nc2c(c(-c3ccc(-c4ncc[nH]4)cc3)n1)CCC2.

What is the InChIKey of (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?

The InChIKey is UOJKXFHQVGETFR-YVEFUNNKSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-17(26)11-25(12)20-23-16-4-2-3-15(16)18(24-20)13-5-7-14(8-6-13)19-21-9-10-22-19/h5-10,12,17,26H,2-4,11H2,1H3,(H,21,22)/t12-,17+/m0/s1.

What are the key properties of (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?

(2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol has a molecular weight of 347.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol is sourced from PubChem (CID 165396074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).