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

C12H13N7 — CID 165427184

IUPAC6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(N)ncc1-c1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H13N7/c1-6-3-9(13)15-4-7(6)11-17-10(14)8-5-16-19(2)12(8)18-11/h3-5H,1-2H3,(H2,13,15)(H2,14,17,18)
InChIKeyJPYSVIHHKMKVGB-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.90
Rot. Bonds1

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

6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 165427184) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID165427184
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(N)ncc1-c1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H13N7/c1-6-3-9(13)15-4-7(6)11-17-10(14)8-5-16-19(2)12(8)18-11/h3-5H,1-2H3,(H2,13,15)(H2,14,17,18)
InChIKeyJPYSVIHHKMKVGB-UHFFFAOYSA-N
XLogP0.90
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-6-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164800826
1-methyl-6-(2-methyl-1,3-benzothiazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 155914044
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-2-methyl-3H-isoindol-1-one
CID 155916412
6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 130346081
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
6-[(4-bromo-2-methylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221383
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1,4-dimethylpyrazolo[3,4-d]pyrimidin-6-amine
CID 82415128
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-6-methylpyrimidin-4-one
CID 63221231
6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220963
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
6-(5,7-difluoro-1H-indol-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2-methylbicyclo[2.2.2]octane
CID 142287782

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 165427184) is 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(N)ncc1-c1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JPYSVIHHKMKVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-6-3-9(13)15-4-7(6)11-17-10(14)8-5-16-19(2)12(8)18-11/h3-5H,1-2H3,(H2,13,15)(H2,14,17,18).
What are the key properties of 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-4-methyl-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 165427184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).