N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H12N4O2 — CID 118728234

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1cc(Nc2ccnc3ccnn23)c2c(c1)OCCO2
InChIInChI=1S/C14H12N4O2/c1-2-10(14-11(3-1)19-8-9-20-14)17-13-4-6-15-12-5-7-16-18(12)13/h1-7,17H,8-9H2
InChIKeyNNIGMLLIMOCYGG-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.24
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 118728234) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID118728234
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESc1cc(Nc2ccnc3ccnn23)c2c(c1)OCCO2
InChIInChI=1S/C14H12N4O2/c1-2-10(14-11(3-1)19-8-9-20-14)17-13-4-6-15-12-5-7-16-18(12)13/h1-7,17H,8-9H2
InChIKeyNNIGMLLIMOCYGG-UHFFFAOYSA-N
XLogP2.24
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 118728234) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is c1cc(Nc2ccnc3ccnn23)c2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NNIGMLLIMOCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-10(14-11(3-1)19-8-9-20-14)17-13-4-6-15-12-5-7-16-18(12)13/h1-7,17H,8-9H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 268.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 118728234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).