N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C15H15N5 — CID 154795334

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nc(NC2CCc3ccccc32)nc2[nH]ncc12
InChIInChI=1S/C15H15N5/c1-9-12-8-16-20-14(12)19-15(17-9)18-13-7-6-10-4-2-3-5-11(10)13/h2-5,8,13H,6-7H2,1H3,(H2,16,17,18,19,20)
InChIKeyHWLCTRTYYSXEBZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.76
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 154795334) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID154795334
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1nc(NC2CCc3ccccc32)nc2[nH]ncc12
InChIInChI=1S/C15H15N5/c1-9-12-8-16-20-14(12)19-15(17-9)18-13-7-6-10-4-2-3-5-11(10)13/h2-5,8,13H,6-7H2,1H3,(H2,16,17,18,19,20)
InChIKeyHWLCTRTYYSXEBZ-UHFFFAOYSA-N
XLogP2.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 154795334) is N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine is Cc1nc(NC2CCc3ccccc32)nc2[nH]ncc12.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is HWLCTRTYYSXEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-9-12-8-16-20-14(12)19-15(17-9)18-13-7-6-10-4-2-3-5-11(10)13/h2-5,8,13H,6-7H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 265.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 154795334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).