N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine

C14H23N7 — CID 114786604

IUPACN-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
SMILESCCNc1nc(N2CC(C)N(C)C(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-5-15-14-18-12-11(16-8-17-12)13(19-14)21-6-9(2)20(4)10(3)7-21/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyYAWSTYYCAHVBFV-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.31
Rot. Bonds3

About N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine

N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine (PubChem CID 114786604) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
PubChem CID114786604
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
SMILESCCNc1nc(N2CC(C)N(C)C(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-5-15-14-18-12-11(16-8-17-12)13(19-14)21-6-9(2)20(4)10(3)7-21/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyYAWSTYYCAHVBFV-UHFFFAOYSA-N
XLogP1.31
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine (CID 114786604) is N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine is CCNc1nc(N2CC(C)N(C)C(C)C2)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine?
The InChIKey is YAWSTYYCAHVBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-5-15-14-18-12-11(16-8-17-12)13(19-14)21-6-9(2)20(4)10(3)7-21/h8-10H,5-7H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine?
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine has a molecular weight of 289.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 114786604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).