1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

C8H12ClN5S — CID 175693052

IUPAC1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCCn1ncc2c(N)nc(SC)nc21.Cl
InChIInChI=1S/C8H11N5S.ClH/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2;/h4H,3H2,1-2H3,(H2,9,11,12);1H
InChIKeyMWJQAVLBMKGSLH-UHFFFAOYSA-N
MW245.74 g/mol
LogP1.57
Rot. Bonds2

About 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175693052) has the molecular formula C8H12ClN5S and a molecular weight of 245.74 g/mol. Its IUPAC name is 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID175693052
Molecular FormulaC8H12ClN5S
Molecular Weight245.74 g/mol
Exact Mass245.05
IUPAC Name1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCCn1ncc2c(N)nc(SC)nc21.Cl
InChIInChI=1S/C8H11N5S.ClH/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2;/h4H,3H2,1-2H3,(H2,9,11,12);1H
InChIKeyMWJQAVLBMKGSLH-UHFFFAOYSA-N
XLogP1.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.74
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
CID 24763692
4-chloro-6-methylsulfanyl-1-prop-2-enylpyrazolo[5,4-d]pyrimidine
CID 72720922
1-[2-[4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-4,6-bis(ethylsulfanyl)pyrazolo[5,4-d]pyrimidine
CID 101127059
2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
CID 69051761
ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347
1-ethyl-4-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 130494011
1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
CID 15399250
13-ethyl-4-methylsulfanyl-2,3,5,7,11,13,14-heptazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
CID 135593862
1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine
CID 14953171
ethyl 2-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-2-oxoacetate
CID 16900908
N,1-diethyl-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726603
1-benzyl-4-(3-chloropropylsulfanyl)-6-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 142715152

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 175693052) is 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is CCn1ncc2c(N)nc(SC)nc21.Cl.
What is the InChIKey of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is MWJQAVLBMKGSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S.ClH/c1-3-13-7-5(4-10-13)6(9)11-8(12-7)14-2;/h4H,3H2,1-2H3,(H2,9,11,12);1H.
What are the key properties of 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 245.74 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175693052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).