N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C16H17N5 — CID 133387002

IUPACN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ncnc3[nH]ncc23)c2ccccc21
InChIInChI=1S/C16H17N5/c1-16(2)7-13(10-5-3-4-6-12(10)16)20-14-11-8-19-21-15(11)18-9-17-14/h3-6,8-9,13H,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyASPGRNIRSKKWGP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.19
Rot. Bonds2

About N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133387002) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133387002
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ncnc3[nH]ncc23)c2ccccc21
InChIInChI=1S/C16H17N5/c1-16(2)7-13(10-5-3-4-6-12(10)16)20-14-11-8-19-21-15(11)18-9-17-14/h3-6,8-9,13H,7H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyASPGRNIRSKKWGP-UHFFFAOYSA-N
XLogP3.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133387002) is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC1(C)CC(Nc2ncnc3[nH]ncc23)c2ccccc21.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ASPGRNIRSKKWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-16(2)7-13(10-5-3-4-6-12(10)16)20-14-11-8-19-21-15(11)18-9-17-14/h3-6,8-9,13H,7H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133387002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).