6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one

C14H23N7O — CID 155517386

IUPAC6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one
SMILESCCN1CCN(CCCn2c(=O)[nH]c3c(N)ncnc32)CC1
InChIInChI=1S/C14H23N7O/c1-2-19-6-8-20(9-7-19)4-3-5-21-13-11(18-14(21)22)12(15)16-10-17-13/h10H,2-9H2,1H3,(H,18,22)(H2,15,16,17)
InChIKeySJYYYIFHJMHBMF-UHFFFAOYSA-N
MW305.39 g/mol
LogP-0.27
Rot. Bonds5

About 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one

6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one (PubChem CID 155517386) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one
PubChem CID155517386
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one
SMILESCCN1CCN(CCCn2c(=O)[nH]c3c(N)ncnc32)CC1
InChIInChI=1S/C14H23N7O/c1-2-19-6-8-20(9-7-19)4-3-5-21-13-11(18-14(21)22)12(15)16-10-17-13/h10H,2-9H2,1H3,(H,18,22)(H2,15,16,17)
InChIKeySJYYYIFHJMHBMF-UHFFFAOYSA-N
XLogP-0.27
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one?
The IUPAC name of 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one (CID 155517386) is 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one?
The canonical SMILES for 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one is CCN1CCN(CCCn2c(=O)[nH]c3c(N)ncnc32)CC1.
What is the InChIKey of 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one?
The InChIKey is SJYYYIFHJMHBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-2-19-6-8-20(9-7-19)4-3-5-21-13-11(18-14(21)22)12(15)16-10-17-13/h10H,2-9H2,1H3,(H,18,22)(H2,15,16,17).
What are the key properties of 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one?
6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one has a molecular weight of 305.39 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-8-one is sourced from PubChem (CID 155517386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).