1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C12H13N5OS — CID 107782349

IUPAC1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1occc1SCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H13N5OS/c1-7-9(3-4-18-7)19-6-10-15-11(13)8-5-14-17(2)12(8)16-10/h3-5H,6H2,1-2H3,(H2,13,15,16)
InChIKeyQPWVVEXTYRKHDP-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.14
Rot. Bonds3

About 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 107782349) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID107782349
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1occc1SCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H13N5OS/c1-7-9(3-4-18-7)19-6-10-15-11(13)8-5-14-17(2)12(8)16-10/h3-5H,6H2,1-2H3,(H2,13,15,16)
InChIKeyQPWVVEXTYRKHDP-UHFFFAOYSA-N
XLogP2.14
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2,5-dichlorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221154
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 107756543
6-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220353
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 63221574
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
ethyl 1-methyl-5-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazole-4-carboxylate
CID 107779086
1-methyl-6-(phenoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221328
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006619
[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221859
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-methylamino]-2-methylpropanenitrile
CID 55163713
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyridazin-3-one
CID 63220960

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 107782349) is 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1occc1SCc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QPWVVEXTYRKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-7-9(3-4-18-7)19-6-10-15-11(13)8-5-14-17(2)12(8)16-10/h3-5H,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 107782349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).