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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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).