N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide

C15H25N7O3 — CID 142690152

IUPACN,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide
SMILES[H]/N=C(\N(CC)CC)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12
InChIInChI=1S/C15H25N7O3/c1-3-20(4-2)13(16)22-12-15(25,11(23)19-14(22)24)18-9-21(12)10-5-7-17-8-6-10/h9-10,12,16-17,25H,3-8H2,1-2H3,(H,19,23,24)/b16-13+
InChIKeyFJRNHHWUHVUJPM-DTQAZKPQSA-N
MW351.41 g/mol
LogP-1.07
Rot. Bonds3

About N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide

N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide (PubChem CID 142690152) has the molecular formula C15H25N7O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide
PubChem CID142690152
Molecular FormulaC15H25N7O3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC NameN,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide
SMILES[H]/N=C(\N(CC)CC)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12
InChIInChI=1S/C15H25N7O3/c1-3-20(4-2)13(16)22-12-15(25,11(23)19-14(22)24)18-9-21(12)10-5-7-17-8-6-10/h9-10,12,16-17,25H,3-8H2,1-2H3,(H,19,23,24)/b16-13+
InChIKeyFJRNHHWUHVUJPM-DTQAZKPQSA-N
XLogP-1.07
TPSA124.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

9-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-diethyl-5-hydroxy-2,6-dioxo-4H-purine-3-carboxamide
CID 142689812
N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690130
3-bromo-5-methoxy-9-piperidin-4-yl-4H-purine-2,6-dione
CID 142690144
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690157
5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carbonitrile
CID 142690168
N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690184
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53237793
7-(2-Hydroxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 73257360
7-Hexyl-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 74813963
3-Methyl-7-pentyl-8-(4-propanoylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 77115473
3,7-Dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78202431
3-Methyl-7-(2-piperidin-1-ylethyl)-4,5-dihydropurine-2,6-dione
CID 78202575

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide?
The IUPAC name of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide (CID 142690152) is N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide.
What is the SMILES notation for N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide?
The canonical SMILES for N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide is [H]/N=C(\N(CC)CC)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12.
What is the InChIKey of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide?
The InChIKey is FJRNHHWUHVUJPM-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H25N7O3/c1-3-20(4-2)13(16)22-12-15(25,11(23)19-14(22)24)18-9-21(12)10-5-7-17-8-6-10/h9-10,12,16-17,25H,3-8H2,1-2H3,(H,19,23,24)/b16-13+.
What are the key properties of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide?
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide has a molecular weight of 351.41 g/mol, XLogP of -1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide is sourced from PubChem (CID 142690152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).