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

C13H17N3 — CID 165396509

IUPAC4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC=Cc1nc(N2CC[C@@H]2C)nc2c1CCC2
InChIInChI=1S/C13H17N3/c1-3-11-10-5-4-6-12(10)15-13(14-11)16-8-7-9(16)2/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyITVNAPKHGUGYGZ-VIFPVBQESA-N
MW215.30 g/mol
LogP2.21
Rot. Bonds2

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

4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 165396509) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID165396509
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC=Cc1nc(N2CC[C@@H]2C)nc2c1CCC2
InChIInChI=1S/C13H17N3/c1-3-11-10-5-4-6-12(10)15-13(14-11)16-8-7-9(16)2/h3,9H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyITVNAPKHGUGYGZ-VIFPVBQESA-N
XLogP2.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridin-2-amine
CID 165396801
4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 171059174
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-benzimidazole
CID 165396571
N,N-dimethyl-4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 167408875
5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
CID 175506591
2-[(2S)-2-methylazetidin-1-yl]-4-(6-phenyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396811
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 165397236
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
CID 165396533
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,3-benzothiazol-2-amine
CID 165395931
2-(2-methylazetidin-1-yl)-4-[3-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 175506598
6-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-quinazoline-2,4-dione
CID 165396651
N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
CID 165396350

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 165396509) is 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C=Cc1nc(N2CC[C@@H]2C)nc2c1CCC2.
What is the InChIKey of 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ITVNAPKHGUGYGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3/c1-3-11-10-5-4-6-12(10)15-13(14-11)16-8-7-9(16)2/h3,9H,1,4-8H2,2H3/t9-/m0/s1.
What are the key properties of 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 215.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 165396509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).