2-chloro-N-cyclopentyl-9-methylpurin-6-amine

C11H14ClN5 — CID 15693955

IUPAC2-chloro-N-cyclopentyl-9-methylpurin-6-amine
SMILESCn1cnc2c(NC3CCCC3)nc(Cl)nc21
InChIInChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyPOGDPKCNXXTDJW-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.37
Rot. Bonds2

About 2-chloro-N-cyclopentyl-9-methylpurin-6-amine

2-chloro-N-cyclopentyl-9-methylpurin-6-amine (PubChem CID 15693955) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-9-methylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-9-methylpurin-6-amine
PubChem CID15693955
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-chloro-N-cyclopentyl-9-methylpurin-6-amine
SMILESCn1cnc2c(NC3CCCC3)nc(Cl)nc21
InChIInChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyPOGDPKCNXXTDJW-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-9-methylpurin-6-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-9-methylpurin-6-amine (CID 15693955) is 2-chloro-N-cyclopentyl-9-methylpurin-6-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-9-methylpurin-6-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-9-methylpurin-6-amine is Cn1cnc2c(NC3CCCC3)nc(Cl)nc21.
What is the InChIKey of 2-chloro-N-cyclopentyl-9-methylpurin-6-amine?
The InChIKey is POGDPKCNXXTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-cyclopentyl-9-methylpurin-6-amine?
2-chloro-N-cyclopentyl-9-methylpurin-6-amine has a molecular weight of 251.72 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-9-methylpurin-6-amine is sourced from PubChem (CID 15693955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).