2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C17H19N3 — CID 167207197

IUPAC2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCc2c(-c3ccccc3)nc(N3CCC3)nc21
InChIInChI=1S/C17H19N3/c1-12-8-9-14-15(12)18-17(20-10-5-11-20)19-16(14)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKeySYGFJIVHCPPSPO-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.40
Rot. Bonds2

About 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 167207197) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID167207197
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCc2c(-c3ccccc3)nc(N3CCC3)nc21
InChIInChI=1S/C17H19N3/c1-12-8-9-14-15(12)18-17(20-10-5-11-20)19-16(14)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKeySYGFJIVHCPPSPO-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 167207197) is 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1CCc2c(-c3ccccc3)nc(N3CCC3)nc21.
What is the InChIKey of 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is SYGFJIVHCPPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-8-9-14-15(12)18-17(20-10-5-11-20)19-16(14)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 265.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-7-methyl-4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 167207197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).