N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine

C18H26N8 — CID 72842659

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine
SMILESCC(C)Cn1cncc1CNC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H26N8/c1-13(2)9-26-12-19-7-15(26)8-20-14-3-5-25(6-4-14)18-16-17(22-10-21-16)23-11-24-18/h7,10-14,20H,3-6,8-9H2,1-2H3,(H,21,22,23,24)
InChIKeyHOKXXMVWOFJQNV-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.96
Rot. Bonds6

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine (PubChem CID 72842659) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine
PubChem CID72842659
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine
SMILESCC(C)Cn1cncc1CNC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H26N8/c1-13(2)9-26-12-19-7-15(26)8-20-14-3-5-25(6-4-14)18-16-17(22-10-21-16)23-11-24-18/h7,10-14,20H,3-6,8-9H2,1-2H3,(H,21,22,23,24)
InChIKeyHOKXXMVWOFJQNV-UHFFFAOYSA-N
XLogP1.96
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S)-3-[[9-methyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168642
1-[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168824
1-[(3S)-3-[[8-(2-methylpyrimidin-5-yl)-9-propylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168839
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290
2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162650803
N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586
N-(2-(1H-Imidazol-5-yl)ethyl)-9H-purin-6-amine
CID 74278
N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-7H-purin-6-amine
CID 44348799
2-chloro-9-propan-2-yl-N-pyrazin-2-ylpurin-6-amine
CID 71517683
9-Decyl-6-(4-methylimidazol-1-yl)purine
CID 118709400

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine (CID 72842659) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine is CC(C)Cn1cncc1CNC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine?
The InChIKey is HOKXXMVWOFJQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-13(2)9-26-12-19-7-15(26)8-20-14-3-5-25(6-4-14)18-16-17(22-10-21-16)23-11-24-18/h7,10-14,20H,3-6,8-9H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-(7H-purin-6-yl)piperidin-4-amine is sourced from PubChem (CID 72842659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).