N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine

C16H16ClN5O — CID 155799203

IUPACN-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
SMILESClc1ccc(Nc2ncnc3c2ncn3CC2CCCO2)cc1
InChIInChI=1S/C16H16ClN5O/c17-11-3-5-12(6-4-11)21-15-14-16(19-9-18-15)22(10-20-14)8-13-2-1-7-23-13/h3-6,9-10,13H,1-2,7-8H2,(H,18,19,21)
InChIKeyIXYYUEWDKWKNCP-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.40
Rot. Bonds4

About N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine

N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine (PubChem CID 155799203) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
PubChem CID155799203
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
SMILESClc1ccc(Nc2ncnc3c2ncn3CC2CCCO2)cc1
InChIInChI=1S/C16H16ClN5O/c17-11-3-5-12(6-4-11)21-15-14-16(19-9-18-15)22(10-20-14)8-13-2-1-7-23-13/h3-6,9-10,13H,1-2,7-8H2,(H,18,19,21)
InChIKeyIXYYUEWDKWKNCP-UHFFFAOYSA-N
XLogP3.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-fluorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799237
N-(2-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799202
N-(2,4-dimethoxyphenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799333
N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine
CID 163354368
9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine
CID 154775697
9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
CID 155941202
9-ethyl-N-(3-ethylphenyl)purin-6-amine;2-propyloxolane
CID 165126933
6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 155799077
6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 163345104
2-bromo-N-(4-chlorophenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574830
N-(4-chlorophenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574646
4-tert-butyl-2-[[4-[9-(oxolan-2-ylmethyl)purin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 171334767

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine?
The IUPAC name of N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine (CID 155799203) is N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine.
What is the SMILES notation for N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine?
The canonical SMILES for N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine is Clc1ccc(Nc2ncnc3c2ncn3CC2CCCO2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine?
The InChIKey is IXYYUEWDKWKNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c17-11-3-5-12(6-4-11)21-15-14-16(19-9-18-15)22(10-20-14)8-13-2-1-7-23-13/h3-6,9-10,13H,1-2,7-8H2,(H,18,19,21).
What are the key properties of N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine?
N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine has a molecular weight of 329.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 155799203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).