6-chloro-9-cyclopentylpurin-2-amine

C10H12ClN5 — CID 23074669

IUPAC6-chloro-9-cyclopentylpurin-2-amine
SMILESNc1nc(Cl)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C10H12ClN5/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,14,15)
InChIKeyFBRQMOOURFSVIP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.18
Rot. Bonds1

About 6-chloro-9-cyclopentylpurin-2-amine

6-chloro-9-cyclopentylpurin-2-amine (PubChem CID 23074669) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-9-cyclopentylpurin-2-amine.

Molecular Properties

Compound Name6-chloro-9-cyclopentylpurin-2-amine
PubChem CID23074669
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-9-cyclopentylpurin-2-amine
SMILESNc1nc(Cl)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C10H12ClN5/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,14,15)
InChIKeyFBRQMOOURFSVIP-UHFFFAOYSA-N
XLogP2.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-Ethyladenine
CID 7
9-Cyclopentyladenine
CID 12852
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
9-cyclopropyl-9H-purin-6-amine
CID 414708
2,6-dichloro-7-methyl-7H-purine
CID 75281
6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CID 97740
6-chloro-9-methyl-9H-purine
CID 94844
8-Bromo-9-butyl-9H-purin-6-amine
CID 11608719
8-Bromo-9-cyclopentyl-9H-adenine
CID 12016633
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
8-Bromo-9-isopropyl-9H-adenine
CID 44572292
8-Bromo-9-(sec-butyl)-9H-adenine
CID 44572295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-cyclopentylpurin-2-amine?
The IUPAC name of 6-chloro-9-cyclopentylpurin-2-amine (CID 23074669) is 6-chloro-9-cyclopentylpurin-2-amine.
What is the SMILES notation for 6-chloro-9-cyclopentylpurin-2-amine?
The canonical SMILES for 6-chloro-9-cyclopentylpurin-2-amine is Nc1nc(Cl)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 6-chloro-9-cyclopentylpurin-2-amine?
The InChIKey is FBRQMOOURFSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,14,15).
What are the key properties of 6-chloro-9-cyclopentylpurin-2-amine?
6-chloro-9-cyclopentylpurin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-cyclopentylpurin-2-amine is sourced from PubChem (CID 23074669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).