7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide

C15H25N7O2 — CID 127039213

IUPAC7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide
SMILESCC(C)n1cnc2c(NCCCCCCC(=O)NO)nc(N)nc21
InChIInChI=1S/C15H25N7O2/c1-10(2)22-9-18-12-13(19-15(16)20-14(12)22)17-8-6-4-3-5-7-11(23)21-24/h9-10,24H,3-8H2,1-2H3,(H,21,23)(H3,16,17,19,20)
InChIKeyBNYGJTCBUVSIDI-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.86
Rot. Bonds9

About 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide

7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide (PubChem CID 127039213) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide
PubChem CID127039213
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide
SMILESCC(C)n1cnc2c(NCCCCCCC(=O)NO)nc(N)nc21
InChIInChI=1S/C15H25N7O2/c1-10(2)22-9-18-12-13(19-15(16)20-14(12)22)17-8-6-4-3-5-7-11(23)21-24/h9-10,24H,3-8H2,1-2H3,(H,21,23)(H3,16,17,19,20)
InChIKeyBNYGJTCBUVSIDI-UHFFFAOYSA-N
XLogP1.86
TPSA130.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

(1R,3R)-3-(6-Amino-purin-9-yl)-cyclopentanecarboxylic acid hydroxyamide
CID 10912305
(1R,3R)-2-[3-(6-Amino-purin-9-yl)-cyclopentyl]-N-hydroxy-acetamide
CID 10934704
7-(2,6-dimorpholin-4-ylpurin-9-yl)-N-hydroxyheptanamide
CID 118374547
N-hydroxy-7-[(2-morpholin-4-yl-7H-purin-6-yl)amino]heptanamide
CID 127025887
7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
CID 127026516
6-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyhexanamide
CID 127027439
6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027440
7-[(2-amino-7H-purin-6-yl)amino]-N-hydroxyheptanamide
CID 127027441
6-[(9-butyl-2-chloropurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027443
6-[(9-butyl-2-morpholin-4-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127038202
N-hydroxy-7-(7H-purin-6-ylamino)heptanamide
CID 127042095
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 127025053

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide (CID 127039213) is 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide is CC(C)n1cnc2c(NCCCCCCC(=O)NO)nc(N)nc21.
What is the InChIKey of 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide?
The InChIKey is BNYGJTCBUVSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-10(2)22-9-18-12-13(19-15(16)20-14(12)22)17-8-6-4-3-5-7-11(23)21-24/h9-10,24H,3-8H2,1-2H3,(H,21,23)(H3,16,17,19,20).
What are the key properties of 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide?
7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide has a molecular weight of 335.41 g/mol, XLogP of 1.86, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyheptanamide is sourced from PubChem (CID 127039213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).