6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H24N6 — CID 63220569

IUPAC6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCN(C)Cc1nc(NCC)c2cnn(C)c2n1
InChIInChI=1S/C14H24N6/c1-5-7-8-19(3)10-12-17-13(15-6-2)11-9-16-20(4)14(11)18-12/h9H,5-8,10H2,1-4H3,(H,15,17,18)
InChIKeyFSINXADQHPCWMW-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.03
Rot. Bonds7

About 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220569) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220569
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCN(C)Cc1nc(NCC)c2cnn(C)c2n1
InChIInChI=1S/C14H24N6/c1-5-7-8-19(3)10-12-17-13(15-6-2)11-9-16-20(4)14(11)18-12/h9H,5-8,10H2,1-4H3,(H,15,17,18)
InChIKeyFSINXADQHPCWMW-UHFFFAOYSA-N
XLogP2.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220569) is 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCN(C)Cc1nc(NCC)c2cnn(C)c2n1.
What is the InChIKey of 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FSINXADQHPCWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-7-8-19(3)10-12-17-13(15-6-2)11-9-16-20(4)14(11)18-12/h9H,5-8,10H2,1-4H3,(H,15,17,18).
What are the key properties of 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 276.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).