N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H24N6O — CID 63221252

IUPACN-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)C(C)COC)nc2c1cnn2C
InChIInChI=1S/C14H24N6O/c1-6-15-13-11-7-16-20(4)14(11)18-12(17-13)8-19(3)10(2)9-21-5/h7,10H,6,8-9H2,1-5H3,(H,15,17,18)
InChIKeyJHPVFMABTQOQQB-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.26
Rot. Bonds7

About N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63221252) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63221252
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CN(C)C(C)COC)nc2c1cnn2C
InChIInChI=1S/C14H24N6O/c1-6-15-13-11-7-16-20(4)14(11)18-12(17-13)8-19(3)10(2)9-21-5/h7,10H,6,8-9H2,1-5H3,(H,15,17,18)
InChIKeyJHPVFMABTQOQQB-UHFFFAOYSA-N
XLogP1.26
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63221252) is N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(CN(C)C(C)COC)nc2c1cnn2C.
What is the InChIKey of N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JHPVFMABTQOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-6-15-13-11-7-16-20(4)14(11)18-12(17-13)8-19(3)10(2)9-21-5/h7,10H,6,8-9H2,1-5H3,(H,15,17,18).
What are the key properties of N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63221252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).