2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine

C20H26N8 — CID 154843471

IUPAC2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine
SMILESCN1CCN(C2CCN(c3nc(Nc4ccccc4)c4[nH]cnc4n3)C2)CC1
InChIInChI=1S/C20H26N8/c1-26-9-11-27(12-10-26)16-7-8-28(13-16)20-24-18-17(21-14-22-18)19(25-20)23-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H2,21,22,23,24,25)
InChIKeyHRGZBQWZQFUJRM-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.92
Rot. Bonds4

About 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine

2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine (PubChem CID 154843471) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine
PubChem CID154843471
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine
SMILESCN1CCN(C2CCN(c3nc(Nc4ccccc4)c4[nH]cnc4n3)C2)CC1
InChIInChI=1S/C20H26N8/c1-26-9-11-27(12-10-26)16-7-8-28(13-16)20-24-18-17(21-14-22-18)19(25-20)23-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H2,21,22,23,24,25)
InChIKeyHRGZBQWZQFUJRM-UHFFFAOYSA-N
XLogP1.92
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine (CID 154843471) is 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine is CN1CCN(C2CCN(c3nc(Nc4ccccc4)c4[nH]cnc4n3)C2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine?
The InChIKey is HRGZBQWZQFUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-26-9-11-27(12-10-26)16-7-8-28(13-16)20-24-18-17(21-14-22-18)19(25-20)23-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine?
2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine has a molecular weight of 378.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-N-phenyl-7H-purin-6-amine is sourced from PubChem (CID 154843471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).