N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine

C17H18FN5 — CID 118671240

IUPACN-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
SMILESFc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C17H18FN5/c18-17-21-15(19-10-12-6-2-1-3-7-12)14-16(22-17)23(11-20-14)13-8-4-5-9-13/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,21,22)
InChIKeyFUKWRGVMVCKSCH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.69
Rot. Bonds4

About N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine

N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine (PubChem CID 118671240) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine.

Molecular Properties

Compound NameN-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
PubChem CID118671240
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC NameN-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
SMILESFc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C17H18FN5/c18-17-21-15(19-10-12-6-2-1-3-7-12)14-16(22-17)23(11-20-14)13-8-4-5-9-13/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,21,22)
InChIKeyFUKWRGVMVCKSCH-UHFFFAOYSA-N
XLogP3.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
6-(benzylamino)-9-cyclopentylpurine-2-carbonitrile
CID 24778185
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
2-fluoro-N-[(4-fluorophenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441059
2-N-[(1R,3S)-4-amino-3-fluorocyclohexyl]-6-N-benzyl-9-cyclopentylpurine-2,6-diamine
CID 69348559
N-[(3-bromophenyl)methyl]-2-fluoro-9-(oxetan-2-yl)purin-6-amine
CID 162441026
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
N-benzyl-9-cyclopenta-1,4-dien-1-yl-2-fluoropurin-6-amine
CID 158581422
9-cyclobutyl-2-N,6-N-bis[(4-methoxyphenyl)methyl]purine-2,6-diamine
CID 11762052
2-fluoro-N-[(3-methoxyphenyl)methyl]-9-(oxetan-2-yl)purin-6-amine
CID 162441151

Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine?
The IUPAC name of N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine (CID 118671240) is N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine.
What is the SMILES notation for N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine?
The canonical SMILES for N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine is Fc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine?
The InChIKey is FUKWRGVMVCKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c18-17-21-15(19-10-12-6-2-1-3-7-12)14-16(22-17)23(11-20-14)13-8-4-5-9-13/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,21,22).
What are the key properties of N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine?
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine has a molecular weight of 311.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine is sourced from PubChem (CID 118671240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).