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

C19H24N4 — CID 3766637

IUPAC2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C19H24N4/c1-15-17-8-5-9-18(17)21-19(20-15)23-12-10-22(11-13-23)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
InChIKeyRVBCZDXWSUFMQA-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.60
Rot. Bonds3

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

2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 3766637) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID3766637
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2
InChIInChI=1S/C19H24N4/c1-15-17-8-5-9-18(17)21-19(20-15)23-12-10-22(11-13-23)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3
InChIKeyRVBCZDXWSUFMQA-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 3766637) is 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1CCC2.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is RVBCZDXWSUFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-15-17-8-5-9-18(17)21-19(20-15)23-12-10-22(11-13-23)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 308.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 3766637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).