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

C14H23N5S — CID 107756628

IUPACN-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CSCC(C)CC)nc2c1cnn2C
InChIInChI=1S/C14H23N5S/c1-5-10(3)8-20-9-12-17-13(15-6-2)11-7-16-19(4)14(11)18-12/h7,10H,5-6,8-9H2,1-4H3,(H,15,17,18)
InChIKeyOGVGADYYNRCTQY-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.07
Rot. Bonds7

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

N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 107756628) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID107756628
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CSCC(C)CC)nc2c1cnn2C
InChIInChI=1S/C14H23N5S/c1-5-10(3)8-20-9-12-17-13(15-6-2)11-7-16-19(4)14(11)18-12/h7,10H,5-6,8-9H2,1-4H3,(H,15,17,18)
InChIKeyOGVGADYYNRCTQY-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propane-1,2-diol
CID 79670267
1-methyl-6-(pentylsulfanylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 107756434
N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221979
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221339
N-ethyl-1-methyl-6-(2-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 103285295
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221252
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
6-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220443
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 63220157

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 107756628) is N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(CSCC(C)CC)nc2c1cnn2C.
What is the InChIKey of N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OGVGADYYNRCTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-5-10(3)8-20-9-12-17-13(15-6-2)11-7-16-19(4)14(11)18-12/h7,10H,5-6,8-9H2,1-4H3,(H,15,17,18).
What are the key properties of N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 293.44 g/mol, XLogP of 3.07, 7 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-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 107756628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).