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

C20H26N4O2 — CID 53192955

IUPAC4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1cccc(CN2CCN(c3ncnc4c3CCC4)CC2)c1OC
InChIInChI=1S/C20H26N4O2/c1-25-18-8-3-5-15(19(18)26-2)13-23-9-11-24(12-10-23)20-16-6-4-7-17(16)21-14-22-20/h3,5,8,14H,4,6-7,9-13H2,1-2H3
InChIKeyGKQMQFVZDSTKJM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.30
Rot. Bonds5

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

4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 53192955) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID53192955
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1cccc(CN2CCN(c3ncnc4c3CCC4)CC2)c1OC
InChIInChI=1S/C20H26N4O2/c1-25-18-8-3-5-15(19(18)26-2)13-23-9-11-24(12-10-23)20-16-6-4-7-17(16)21-14-22-20/h3,5,8,14H,4,6-7,9-13H2,1-2H3
InChIKeyGKQMQFVZDSTKJM-UHFFFAOYSA-N
XLogP2.30
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 53192955) is 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1cccc(CN2CCN(c3ncnc4c3CCC4)CC2)c1OC.
What is the InChIKey of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is GKQMQFVZDSTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-25-18-8-3-5-15(19(18)26-2)13-23-9-11-24(12-10-23)20-16-6-4-7-17(16)21-14-22-20/h3,5,8,14H,4,6-7,9-13H2,1-2H3.
What are the key properties of 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 354.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 53192955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).