6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine

C12H19N7 — CID 115669377

IUPAC6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
SMILESCC(C)N1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C12H19N7/c1-8(2)18-3-5-19(6-4-18)11-9-10(15-7-14-9)16-12(13)17-11/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyNCRRQFONXWNKFJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.47
Rot. Bonds2

About 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine

6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine (PubChem CID 115669377) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
PubChem CID115669377
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
SMILESCC(C)N1CCN(c2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C12H19N7/c1-8(2)18-3-5-19(6-4-18)11-9-10(15-7-14-9)16-12(13)17-11/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyNCRRQFONXWNKFJ-UHFFFAOYSA-N
XLogP0.47
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 166212074
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-phenylmethanone
CID 39046359
6-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-7H-purin-2-amine
CID 72902832
6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine?
The IUPAC name of 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine (CID 115669377) is 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine is CC(C)N1CCN(c2nc(N)nc3nc[nH]c23)CC1.
What is the InChIKey of 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine?
The InChIKey is NCRRQFONXWNKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-8(2)18-3-5-19(6-4-18)11-9-10(15-7-14-9)16-12(13)17-11/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine?
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine is sourced from PubChem (CID 115669377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).