N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H25N5O — CID 103285295

IUPACN-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(C)COCc1nc(NCC)c2cnn(C)c2n1
InChIInChI=1S/C15H25N5O/c1-5-7-11(3)9-21-10-13-18-14(16-6-2)12-8-17-20(4)15(12)19-13/h8,11H,5-7,9-10H2,1-4H3,(H,16,18,19)
InChIKeyOVZVLSKBFKXQKT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.75
Rot. Bonds8

About N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103285295) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103285295
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCC(C)COCc1nc(NCC)c2cnn(C)c2n1
InChIInChI=1S/C15H25N5O/c1-5-7-11(3)9-21-10-13-18-14(16-6-2)12-8-17-20(4)15(12)19-13/h8,11H,5-7,9-10H2,1-4H3,(H,16,18,19)
InChIKeyOVZVLSKBFKXQKT-UHFFFAOYSA-N
XLogP2.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756628
6-(cyclopropylmethoxymethyl)-1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221107
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221252
6-(2,2-difluoroethoxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006493
[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82007218
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 63220157
6-(1-ethoxypropan-2-yloxymethyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103490256
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220569
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 103285295) is N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCCC(C)COCc1nc(NCC)c2cnn(C)c2n1.
What is the InChIKey of N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OVZVLSKBFKXQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-7-11(3)9-21-10-13-18-14(16-6-2)12-8-17-20(4)15(12)19-13/h8,11H,5-7,9-10H2,1-4H3,(H,16,18,19).
What are the key properties of N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103285295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).