N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H22N6O — CID 82734913

IUPACN,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)C2CCOC2C)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-9-11(5-6-21-9)19(3)8-12-17-13(15-2)10-7-16-20(4)14(10)18-12/h7,9,11H,5-6,8H2,1-4H3,(H,15,17,18)
InChIKeyQJJMQBNZZJYULW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.01
Rot. Bonds4

About N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82734913) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82734913
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)C2CCOC2C)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-9-11(5-6-21-9)19(3)8-12-17-13(15-2)10-7-16-20(4)14(10)18-12/h7,9,11H,5-6,8H2,1-4H3,(H,15,17,18)
InChIKeyQJJMQBNZZJYULW-UHFFFAOYSA-N
XLogP1.01
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 82734913) is N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(CN(C)C2CCOC2C)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QJJMQBNZZJYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9-11(5-6-21-9)19(3)8-12-17-13(15-2)10-7-16-20(4)14(10)18-12/h7,9,11H,5-6,8H2,1-4H3,(H,15,17,18).
What are the key properties of N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82734913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).