N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide

C15H17N7O — CID 15836672

IUPACN-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide
SMILESCN(C)c1nc(N)c2c(NC(=O)c3ccccc3)nn(C)c2n1
InChIInChI=1S/C15H17N7O/c1-21(2)15-17-11(16)10-12(20-22(3)13(10)19-15)18-14(23)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,16,17,19)(H,18,20,23)
InChIKeyVCVHJFFGLKFFAQ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.26
Rot. Bonds3

About N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide

N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide (PubChem CID 15836672) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide
PubChem CID15836672
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide
SMILESCN(C)c1nc(N)c2c(NC(=O)c3ccccc3)nn(C)c2n1
InChIInChI=1S/C15H17N7O/c1-21(2)15-17-11(16)10-12(20-22(3)13(10)19-15)18-14(23)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,16,17,19)(H,18,20,23)
InChIKeyVCVHJFFGLKFFAQ-UHFFFAOYSA-N
XLogP1.26
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,6-dimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 82018263
3-methyl-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 91710473
N-[6-(dimethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389150
N-[1-(3-benzamidophenyl)ethyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514709
N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
CID 23829139
N-(3-methylimidazo[4,5-b]pyridin-5-yl)benzamide
CID 23298391
N-(3,4-diamino-2-pyridinyl)benzamide
CID 91432821
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-(1,5,7-trimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-4-ium-3-yl)benzamide
CID 10684217
[2-(dimethylamino)-9-methylpurin-6-yl] N-phenylcarbamate
CID 143605606
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
CID 1215874

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide?
The IUPAC name of N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide (CID 15836672) is N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide.
What is the SMILES notation for N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide?
The canonical SMILES for N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide is CN(C)c1nc(N)c2c(NC(=O)c3ccccc3)nn(C)c2n1.
What is the InChIKey of N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide?
The InChIKey is VCVHJFFGLKFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-21(2)15-17-11(16)10-12(20-22(3)13(10)19-15)18-14(23)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,16,17,19)(H,18,20,23).
What are the key properties of N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide?
N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide has a molecular weight of 311.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 15836672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).