N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine

C22H29N9O2 — CID 142506227

IUPACN-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine
SMILESCCCc1nc(NCCCCCC(=O)NO)c2ccccc2n1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H24N4O2.C5H5N5/c1-2-8-15-19-14-10-6-5-9-13(14)17(20-15)18-12-7-3-4-11-16(22)21-23;6-4-3-5(9-1-7-3)10-2-8-4/h5-6,9-10,23H,2-4,7-8,11-12H2,1H3,(H,21,22)(H,18,19,20);1-2H,(H3,6,7,8,9,10)
InChIKeyNGVQIHNYUFLAER-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.00
Rot. Bonds9

About N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine

N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine (PubChem CID 142506227) has the molecular formula C22H29N9O2 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine.

Molecular Properties

Compound NameN-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine
PubChem CID142506227
Molecular FormulaC22H29N9O2
Molecular Weight451.54 g/mol
Exact Mass451.24
IUPAC NameN-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine
SMILESCCCc1nc(NCCCCCC(=O)NO)c2ccccc2n1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C17H24N4O2.C5H5N5/c1-2-8-15-19-14-10-6-5-9-13(14)17(20-15)18-12-7-3-4-11-16(22)21-23;6-4-3-5(9-1-7-3)10-2-8-4/h5-6,9-10,23H,2-4,7-8,11-12H2,1H3,(H,21,22)(H,18,19,20);1-2H,(H3,6,7,8,9,10)
InChIKeyNGVQIHNYUFLAER-UHFFFAOYSA-N
XLogP3.00
TPSA167.62 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[2-[3-(7H-purin-6-ylamino)propyl]quinazolin-4-yl]benzamide
CID 137368140
octadecanoic acid;7H-purin-6-amine
CID 141436047
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
CID 159091389
4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]butanoic acid;hydrochloride
CID 20982620
benzamide;7H-purin-6-amine
CID 66705736
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine
CID 142506201
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
phenanthridine;7H-purin-6-amine
CID 90006324

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine?
The IUPAC name of N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine (CID 142506227) is N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine.
What is the SMILES notation for N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine?
The canonical SMILES for N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine is CCCc1nc(NCCCCCC(=O)NO)c2ccccc2n1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine?
The InChIKey is NGVQIHNYUFLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C5H5N5/c1-2-8-15-19-14-10-6-5-9-13(14)17(20-15)18-12-7-3-4-11-16(22)21-23;6-4-3-5(9-1-7-3)10-2-8-4/h5-6,9-10,23H,2-4,7-8,11-12H2,1H3,(H,21,22)(H,18,19,20);1-2H,(H3,6,7,8,9,10).
What are the key properties of N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine?
N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine has a molecular weight of 451.54 g/mol, XLogP of 3.00, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(2-propylquinazolin-4-yl)amino]hexanamide;7H-purin-6-amine is sourced from PubChem (CID 142506227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).