2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine

C15H25N7 — CID 143940334

IUPAC2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
SMILESCN1CCN(CCCCCc2nc(N)c3[nH]cnc3n2)CC1
InChIInChI=1S/C15H25N7/c1-21-7-9-22(10-8-21)6-4-2-3-5-12-19-14(16)13-15(20-12)18-11-17-13/h11H,2-10H2,1H3,(H3,16,17,18,19,20)
InChIKeyJIIQGNITOLHXTN-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.90
Rot. Bonds6

About 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine

2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine (PubChem CID 143940334) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
PubChem CID143940334
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
SMILESCN1CCN(CCCCCc2nc(N)c3[nH]cnc3n2)CC1
InChIInChI=1S/C15H25N7/c1-21-7-9-22(10-8-21)6-4-2-3-5-12-19-14(16)13-15(20-12)18-11-17-13/h11H,2-10H2,1H3,(H3,16,17,18,19,20)
InChIKeyJIIQGNITOLHXTN-UHFFFAOYSA-N
XLogP0.90
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7H-purin-6-amine
CID 19795383
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine
CID 143940325
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544
2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 74767149
6-chloro-2-pentyl-7H-purine
CID 10978232
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
2-benzyl-7H-purin-6-amine
CID 15986830
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine?
The IUPAC name of 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine (CID 143940334) is 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine?
The canonical SMILES for 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine is CN1CCN(CCCCCc2nc(N)c3[nH]cnc3n2)CC1.
What is the InChIKey of 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine?
The InChIKey is JIIQGNITOLHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-21-7-9-22(10-8-21)6-4-2-3-5-12-19-14(16)13-15(20-12)18-11-17-13/h11H,2-10H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine?
2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine has a molecular weight of 303.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine is sourced from PubChem (CID 143940334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).