7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide

C16H25ClN6O2 — CID 127026516

IUPAC7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
SMILESCC(C)Cn1cnc2c(NCCCCCCC(=O)NO)nc(Cl)nc21
InChIInChI=1S/C16H25ClN6O2/c1-11(2)9-23-10-19-13-14(20-16(17)21-15(13)23)18-8-6-4-3-5-7-12(24)22-25/h10-11,25H,3-9H2,1-2H3,(H,22,24)(H,18,20,21)
InChIKeyDKTBWAHIHHWHDN-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.00
Rot. Bonds10

About 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide

7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide (PubChem CID 127026516) has the molecular formula C16H25ClN6O2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
PubChem CID127026516
Molecular FormulaC16H25ClN6O2
Molecular Weight368.87 g/mol
Exact Mass368.17
IUPAC Name7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide
SMILESCC(C)Cn1cnc2c(NCCCCCCC(=O)NO)nc(Cl)nc21
InChIInChI=1S/C16H25ClN6O2/c1-11(2)9-23-10-19-13-14(20-16(17)21-15(13)23)18-8-6-4-3-5-7-12(24)22-25/h10-11,25H,3-9H2,1-2H3,(H,22,24)(H,18,20,21)
InChIKeyDKTBWAHIHHWHDN-UHFFFAOYSA-N
XLogP3.00
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide (CID 127026516) is 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide is CC(C)Cn1cnc2c(NCCCCCCC(=O)NO)nc(Cl)nc21.
What is the InChIKey of 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide?
The InChIKey is DKTBWAHIHHWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN6O2/c1-11(2)9-23-10-19-13-14(20-16(17)21-15(13)23)18-8-6-4-3-5-7-12(24)22-25/h10-11,25H,3-9H2,1-2H3,(H,22,24)(H,18,20,21).
What are the key properties of 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide?
7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide has a molecular weight of 368.87 g/mol, XLogP of 3.00, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-9-(2-methylpropyl)purin-6-yl]amino]-N-hydroxyheptanamide is sourced from PubChem (CID 127026516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).