2-chloro-N-cycloheptyl-7-methylpurin-6-amine

C13H18ClN5 — CID 82460223

IUPAC2-chloro-N-cycloheptyl-7-methylpurin-6-amine
SMILESCn1cnc2nc(Cl)nc(NC3CCCCCC3)c21
InChIInChI=1S/C13H18ClN5/c1-19-8-15-11-10(19)12(18-13(14)17-11)16-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,16,17,18)
InChIKeyDFPIQYJTAWSTHB-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-N-cycloheptyl-7-methylpurin-6-amine

2-chloro-N-cycloheptyl-7-methylpurin-6-amine (PubChem CID 82460223) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-N-cycloheptyl-7-methylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-N-cycloheptyl-7-methylpurin-6-amine
PubChem CID82460223
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name2-chloro-N-cycloheptyl-7-methylpurin-6-amine
SMILESCn1cnc2nc(Cl)nc(NC3CCCCCC3)c21
InChIInChI=1S/C13H18ClN5/c1-19-8-15-11-10(19)12(18-13(14)17-11)16-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,16,17,18)
InChIKeyDFPIQYJTAWSTHB-UHFFFAOYSA-N
XLogP3.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
CID 82460237
2-chloro-7-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
2-chloro-7-cyclopentyl-N-ethylpurin-6-amine
CID 82460473
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 82460740
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
(2S,3R,4S,5R)-2-[2-chloro-6-(cyclohexylamino)purin-9-yl]-5-methylthiolane-3,4-diol
CID 46238303

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cycloheptyl-7-methylpurin-6-amine?
The IUPAC name of 2-chloro-N-cycloheptyl-7-methylpurin-6-amine (CID 82460223) is 2-chloro-N-cycloheptyl-7-methylpurin-6-amine.
What is the SMILES notation for 2-chloro-N-cycloheptyl-7-methylpurin-6-amine?
The canonical SMILES for 2-chloro-N-cycloheptyl-7-methylpurin-6-amine is Cn1cnc2nc(Cl)nc(NC3CCCCCC3)c21.
What is the InChIKey of 2-chloro-N-cycloheptyl-7-methylpurin-6-amine?
The InChIKey is DFPIQYJTAWSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-19-8-15-11-10(19)12(18-13(14)17-11)16-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-cycloheptyl-7-methylpurin-6-amine?
2-chloro-N-cycloheptyl-7-methylpurin-6-amine has a molecular weight of 279.77 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cycloheptyl-7-methylpurin-6-amine is sourced from PubChem (CID 82460223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).