[4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone

C16H17N7O — CID 646253

IUPAC[4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone
SMILESNc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c12
InChIInChI=1S/C16H17N7O/c17-13-12-14(19-10-18-13)21-16(20-12)23-8-6-22(7-9-23)15(24)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,17,18,19,20,21)
InChIKeyDWBXVUDEDOEGOA-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.90
Rot. Bonds2

About [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone

[4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 646253) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone
PubChem CID646253
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone
SMILESNc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c12
InChIInChI=1S/C16H17N7O/c17-13-12-14(19-10-18-13)21-16(20-12)23-8-6-22(7-9-23)15(24)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,17,18,19,20,21)
InChIKeyDWBXVUDEDOEGOA-UHFFFAOYSA-N
XLogP0.90
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Idelalisib
CID 11625818
6-Benzamidopurine
CID 97075
Acalisib
CID 11618268
Dezapelisib
CID 58111426
Purfalcamine
CID 24762166
2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11185393
N-butyl-3-((6-(9H-purin-6-ylamino)hexanoyl)amino)benzamide
CID 24893974
3-(dimethylamino)-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 73331320
(S)-2-(1-(9H-Purin-6-ylamino)ethyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
CID 118044236
3-[9-[7-(Hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
CID 118374540
4-[9-[7-(Hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
CID 118374541
3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinolizin-4-one
CID 118627731

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone (CID 646253) is [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone is Nc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c12.
What is the InChIKey of [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is DWBXVUDEDOEGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c17-13-12-14(19-10-18-13)21-16(20-12)23-8-6-22(7-9-23)15(24)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,17,18,19,20,21).
What are the key properties of [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone?
[4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 323.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-7H-purin-8-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 646253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).