9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine

C15H19N7O — CID 154775697

IUPAC9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine
SMILESCCn1cnc2c(Nc3cnn(CC4CCCO4)c3)ncnc21
InChIInChI=1S/C15H19N7O/c1-2-21-10-18-13-14(16-9-17-15(13)21)20-11-6-19-22(7-11)8-12-4-3-5-23-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,16,17,20)
InChIKeyWDRHJWMMGVMTDT-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.97
Rot. Bonds5

About 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine

9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine (PubChem CID 154775697) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine.

Molecular Properties

Compound Name9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine
PubChem CID154775697
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine
SMILESCCn1cnc2c(Nc3cnn(CC4CCCO4)c3)ncnc21
InChIInChI=1S/C15H19N7O/c1-2-21-10-18-13-14(16-9-17-15(13)21)20-11-6-19-22(7-11)8-12-4-3-5-23-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,16,17,20)
InChIKeyWDRHJWMMGVMTDT-UHFFFAOYSA-N
XLogP1.97
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799203
9-ethyl-N-(3-ethylphenyl)purin-6-amine;2-propyloxolane
CID 165126933
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
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,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
5,6-dimethyl-3-[[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]amino]pyridazine-4-carbonitrile
CID 94435731
N-(2,4-dimethoxyphenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799333
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 60507129
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 63946105

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine?
The IUPAC name of 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine (CID 154775697) is 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine.
What is the SMILES notation for 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine?
The canonical SMILES for 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine is CCn1cnc2c(Nc3cnn(CC4CCCO4)c3)ncnc21.
What is the InChIKey of 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine?
The InChIKey is WDRHJWMMGVMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-2-21-10-18-13-14(16-9-17-15(13)21)20-11-6-19-22(7-11)8-12-4-3-5-23-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,16,17,20).
What are the key properties of 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine?
9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine has a molecular weight of 313.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine is sourced from PubChem (CID 154775697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).