2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C22H28N4 — CID 165396343

IUPAC2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1cc(CN2CCCCC2)cc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C22H28N4/c1-2-11-25(12-3-1)16-17-7-4-8-18(15-17)21-19-9-5-10-20(19)23-22(24-21)26-13-6-14-26/h4,7-8,15H,1-3,5-6,9-14,16H2
InChIKeyPZNHQQSQRFPIBD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.83
Rot. Bonds4

About 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 165396343) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID165396343
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1cc(CN2CCCCC2)cc(-c2nc(N3CCC3)nc3c2CCC3)c1
InChIInChI=1S/C22H28N4/c1-2-11-25(12-3-1)16-17-7-4-8-18(15-17)21-19-9-5-10-20(19)23-22(24-21)26-13-6-14-26/h4,7-8,15H,1-3,5-6,9-14,16H2
InChIKeyPZNHQQSQRFPIBD-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396314
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
N-[[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]-2-hydroxypropanamide
CID 165397095
[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
[3-[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclobutyl]methanol
CID 165397416
3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
CID 165396939
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 165396177
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
CID 165396067
2-[5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 167207278
3-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-ethylphenyl]oxetan-3-amine
CID 167207585
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
CID 165396731

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 165396343) is 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1cc(CN2CCCCC2)cc(-c2nc(N3CCC3)nc3c2CCC3)c1.
What is the InChIKey of 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PZNHQQSQRFPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-2-11-25(12-3-1)16-17-7-4-8-18(15-17)21-19-9-5-10-20(19)23-22(24-21)26-13-6-14-26/h4,7-8,15H,1-3,5-6,9-14,16H2.
What are the key properties of 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 348.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-[3-(piperidin-1-ylmethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 165396343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).