N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C13H17N7S — CID 63221979

IUPACN-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cnn(C)c2)nc2c1cnn2C
InChIInChI=1S/C13H17N7S/c1-4-14-12-10-6-16-20(3)13(10)18-11(17-12)8-21-9-5-15-19(2)7-9/h5-7H,4,8H2,1-3H3,(H,14,17,18)
InChIKeyYILSLGOIGBYRHK-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221979) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221979
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC NameN-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cnn(C)c2)nc2c1cnn2C
InChIInChI=1S/C13H17N7S/c1-4-14-12-10-6-16-20(3)13(10)18-11(17-12)8-21-9-5-15-19(2)7-9/h5-7H,4,8H2,1-3H3,(H,14,17,18)
InChIKeyYILSLGOIGBYRHK-UHFFFAOYSA-N
XLogP1.82
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63221979) is N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(CSc2cnn(C)c2)nc2c1cnn2C.
What is the InChIKey of N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YILSLGOIGBYRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-4-14-12-10-6-16-20(3)13(10)18-11(17-12)8-21-9-5-15-19(2)7-9/h5-7H,4,8H2,1-3H3,(H,14,17,18).
What are the key properties of N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).