N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H17N5O2 — CID 86776236

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1cnn2C
InChIInChI=1S/C16H17N5O2/c1-20(15-12-8-19-21(2)16(12)18-10-17-15)9-11-3-4-13-14(7-11)23-6-5-22-13/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyJOYZWAJVMHSZBY-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.77
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 86776236) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID86776236
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1cnn2C
InChIInChI=1S/C16H17N5O2/c1-20(15-12-8-19-21(2)16(12)18-10-17-15)9-11-3-4-13-14(7-11)23-6-5-22-13/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyJOYZWAJVMHSZBY-UHFFFAOYSA-N
XLogP1.77
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 86776236) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1cnn2C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JOYZWAJVMHSZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20(15-12-8-19-21(2)16(12)18-10-17-15)9-11-3-4-13-14(7-11)23-6-5-22-13/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 311.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86776236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).