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

C14H16N6S — CID 63221339

IUPACN-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2ccccn2)nc2c1cnn2C
InChIInChI=1S/C14H16N6S/c1-3-15-13-10-8-17-20(2)14(10)19-11(18-13)9-21-12-6-4-5-7-16-12/h4-8H,3,9H2,1-2H3,(H,15,18,19)
InChIKeyWVELMETXNLMVRZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.48
Rot. Bonds5

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

N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221339) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221339
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2ccccn2)nc2c1cnn2C
InChIInChI=1S/C14H16N6S/c1-3-15-13-10-8-17-20(2)14(10)19-11(18-13)9-21-12-6-4-5-7-16-12/h4-8H,3,9H2,1-2H3,(H,15,18,19)
InChIKeyWVELMETXNLMVRZ-UHFFFAOYSA-N
XLogP2.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221979
N-ethyl-1-methyl-6-(2-methylbutylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756628
3-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propane-1,2-diol
CID 79670267
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
4-chloro-1-methyl-6-(pyrimidin-4-ylsulfanylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63698322
[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221859
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
4-chloro-1-methyl-6-(pyrazin-2-ylsulfanylmethyl)pyrazolo[5,4-d]pyrimidine
CID 55249476
[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221592
N,1-dimethyl-6-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63222068

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221339) is N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(CSc2ccccn2)nc2c1cnn2C.
What is the InChIKey of N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WVELMETXNLMVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-3-15-13-10-8-17-20(2)14(10)19-11(18-13)9-21-12-6-4-5-7-16-12/h4-8H,3,9H2,1-2H3,(H,15,18,19).
What are the key properties of N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).