3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine

C21H26N4O — CID 167207585

IUPAC3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
SMILESCCc1cc(-c2nc(N3CCC3)nc3c2CCC3)ccc1C1(N)COC1
InChIInChI=1S/C21H26N4O/c1-2-14-11-15(7-8-17(14)21(22)12-26-13-21)19-16-5-3-6-18(16)23-20(24-19)25-9-4-10-25/h7-8,11H,2-6,9-10,12-13,22H2,1H3
InChIKeySKIZYPUSRRIURT-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.59
Rot. Bonds4

About 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine

3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine (PubChem CID 167207585) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine.

Molecular Properties

Compound Name3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
PubChem CID167207585
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
SMILESCCc1cc(-c2nc(N3CCC3)nc3c2CCC3)ccc1C1(N)COC1
InChIInChI=1S/C21H26N4O/c1-2-14-11-15(7-8-17(14)21(22)12-26-13-21)19-16-5-3-6-18(16)23-20(24-19)25-9-4-10-25/h7-8,11H,2-6,9-10,12-13,22H2,1H3
InChIKeySKIZYPUSRRIURT-UHFFFAOYSA-N
XLogP2.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine?
The IUPAC name of 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine (CID 167207585) is 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine.
What is the SMILES notation for 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine?
The canonical SMILES for 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine is CCc1cc(-c2nc(N3CCC3)nc3c2CCC3)ccc1C1(N)COC1.
What is the InChIKey of 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine?
The InChIKey is SKIZYPUSRRIURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-14-11-15(7-8-17(14)21(22)12-26-13-21)19-16-5-3-6-18(16)23-20(24-19)25-9-4-10-25/h7-8,11H,2-6,9-10,12-13,22H2,1H3.
What are the key properties of 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine?
3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine has a molecular weight of 350.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine is sourced from PubChem (CID 167207585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).