6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine

C21H33N5 — CID 141063152

IUPAC6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine
SMILESCC(C)(C)Cn1c(CN2CCN(C3CCCC3)CC2)cc2cncnc21
InChIInChI=1S/C21H33N5/c1-21(2,3)15-26-19(12-17-13-22-16-23-20(17)26)14-24-8-10-25(11-9-24)18-6-4-5-7-18/h12-13,16,18H,4-11,14-15H2,1-3H3
InChIKeyKOBITHNIWWOFBP-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.54
Rot. Bonds4

About 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine

6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 141063152) has the molecular formula C21H33N5 and a molecular weight of 355.53 g/mol. Its IUPAC name is 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine
PubChem CID141063152
Molecular FormulaC21H33N5
Molecular Weight355.53 g/mol
Exact Mass355.27
IUPAC Name6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine
SMILESCC(C)(C)Cn1c(CN2CCN(C3CCCC3)CC2)cc2cncnc21
InChIInChI=1S/C21H33N5/c1-21(2,3)15-26-19(12-17-13-22-16-23-20(17)26)14-24-8-10-25(11-9-24)18-6-4-5-7-18/h12-13,16,18H,4-11,14-15H2,1-3H3
InChIKeyKOBITHNIWWOFBP-UHFFFAOYSA-N
XLogP3.54
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine (CID 141063152) is 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine is CC(C)(C)Cn1c(CN2CCN(C3CCCC3)CC2)cc2cncnc21.
What is the InChIKey of 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is KOBITHNIWWOFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5/c1-21(2,3)15-26-19(12-17-13-22-16-23-20(17)26)14-24-8-10-25(11-9-24)18-6-4-5-7-18/h12-13,16,18H,4-11,14-15H2,1-3H3.
What are the key properties of 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine?
6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 355.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141063152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).