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

C21H28N4O — CID 127032798

IUPAC4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C21H28N4O/c1-24-12-14-25(15-13-24)11-6-16-26-21-18-9-5-10-19(18)22-20(23-21)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16H2,1H3
InChIKeyFUYWOKICVYDIIG-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.65
Rot. Bonds6

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

4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 127032798) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID127032798
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C21H28N4O/c1-24-12-14-25(15-13-24)11-6-16-26-21-18-9-5-10-19(18)22-20(23-21)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16H2,1H3
InChIKeyFUYWOKICVYDIIG-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 127032798) is 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CN1CCN(CCCOc2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FUYWOKICVYDIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-12-14-25(15-13-24)11-6-16-26-21-18-9-5-10-19(18)22-20(23-21)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 352.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 127032798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).