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

C14H16N6 — CID 80725841

IUPACN-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C)nc2c1cnn2-c1cc(C)ccn1
InChIInChI=1S/C14H16N6/c1-4-15-13-11-8-17-20(14(11)19-10(3)18-13)12-7-9(2)5-6-16-12/h5-8H,4H2,1-3H3,(H,15,18,19)
InChIKeyNWJQLOPDBFUYBA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.26
Rot. Bonds3

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

N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 80725841) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID80725841
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C)nc2c1cnn2-c1cc(C)ccn1
InChIInChI=1S/C14H16N6/c1-4-15-13-11-8-17-20(14(11)19-10(3)18-13)12-7-9(2)5-6-16-12/h5-8H,4H2,1-3H3,(H,15,18,19)
InChIKeyNWJQLOPDBFUYBA-UHFFFAOYSA-N
XLogP2.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 80725841) is N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(C)nc2c1cnn2-c1cc(C)ccn1.
What is the InChIKey of N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NWJQLOPDBFUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-4-15-13-11-8-17-20(14(11)19-10(3)18-13)12-7-9(2)5-6-16-12/h5-8H,4H2,1-3H3,(H,15,18,19).
What are the key properties of N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-(4-methyl-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 80725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).