N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

C19H16N6O2 — CID 6539396

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1
InChIInChI=1S/C19H16N6O2/c1-12-2-4-16-14(11-21-25(16)24-12)15-6-7-20-19(23-15)22-13-3-5-17-18(10-13)27-9-8-26-17/h2-7,10-11H,8-9H2,1H3,(H,20,22,23)
InChIKeyNKTGKAVJSAUPCX-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.01
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (PubChem CID 6539396) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
PubChem CID6539396
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine
SMILESCc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1
InChIInChI=1S/C19H16N6O2/c1-12-2-4-16-14(11-21-25(16)24-12)15-6-7-20-19(23-15)22-13-3-5-17-18(10-13)27-9-8-26-17/h2-7,10-11H,8-9H2,1H3,(H,20,22,23)
InChIKeyNKTGKAVJSAUPCX-UHFFFAOYSA-N
XLogP3.01
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine (CID 6539396) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is Cc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
The InChIKey is NKTGKAVJSAUPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-2-4-16-14(11-21-25(16)24-12)15-6-7-20-19(23-15)22-13-3-5-17-18(10-13)27-9-8-26-17/h2-7,10-11H,8-9H2,1H3,(H,20,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine has a molecular weight of 360.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-methylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 6539396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).