N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

C16H19N5O2S — CID 86776303

IUPACN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C
InChIInChI=1S/C16H19N5O2S/c1-11(12-5-7-13(8-6-12)24(4,22)23)20(2)15-14-9-19-21(3)16(14)18-10-17-15/h5-11H,1-4H3
InChIKeyZHSWBOLQAQQTCS-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.96
Rot. Bonds4

About N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 86776303) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID86776303
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C
InChIInChI=1S/C16H19N5O2S/c1-11(12-5-7-13(8-6-12)24(4,22)23)20(2)15-14-9-19-21(3)16(14)18-10-17-15/h5-11H,1-4H3
InChIKeyZHSWBOLQAQQTCS-UHFFFAOYSA-N
XLogP1.96
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 86776303) is N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is CC(c1ccc(S(C)(=O)=O)cc1)N(C)c1ncnc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZHSWBOLQAQQTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11(12-5-7-13(8-6-12)24(4,22)23)20(2)15-14-9-19-21(3)16(14)18-10-17-15/h5-11H,1-4H3.
What are the key properties of N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 345.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86776303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).