2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H22N4 — CID 66525351

IUPAC2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cccc(-c2nc3c(c(N4CCNCC4)n2)CCC3)c1
InChIInChI=1S/C18H22N4/c1-13-4-2-5-14(12-13)17-20-16-7-3-6-15(16)18(21-17)22-10-8-19-9-11-22/h2,4-5,12,19H,3,6-11H2,1H3
InChIKeyZMNSWBUIEKCPFC-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.35
Rot. Bonds2

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

2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66525351) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66525351
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1cccc(-c2nc3c(c(N4CCNCC4)n2)CCC3)c1
InChIInChI=1S/C18H22N4/c1-13-4-2-5-14(12-13)17-20-16-7-3-6-15(16)18(21-17)22-10-8-19-9-11-22/h2,4-5,12,19H,3,6-11H2,1H3
InChIKeyZMNSWBUIEKCPFC-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66525351) is 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1cccc(-c2nc3c(c(N4CCNCC4)n2)CCC3)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ZMNSWBUIEKCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-4-2-5-14(12-13)17-20-16-7-3-6-15(16)18(21-17)22-10-8-19-9-11-22/h2,4-5,12,19H,3,6-11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 294.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66525351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).