4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine

C19H16N6 — CID 6539445

IUPAC4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1
InChIInChI=1S/C19H16N6/c1-2-5-14(6-3-1)22-19-20-12-10-15(23-19)17-16-7-4-11-21-25(16)24-18(17)13-8-9-13/h1-7,10-13H,8-9H2,(H,20,22,23)
InChIKeyBWBMBCPGRIOUNV-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.81
Rot. Bonds4

About 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine

4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine (PubChem CID 6539445) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
PubChem CID6539445
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1
InChIInChI=1S/C19H16N6/c1-2-5-14(6-3-1)22-19-20-12-10-15(23-19)17-16-7-4-11-21-25(16)24-18(17)13-8-9-13/h1-7,10-13H,8-9H2,(H,20,22,23)
InChIKeyBWBMBCPGRIOUNV-UHFFFAOYSA-N
XLogP3.81
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine (CID 6539445) is 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine is c1ccc(Nc2nccc(-c3c(C4CC4)nn4ncccc34)n2)cc1.
What is the InChIKey of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is BWBMBCPGRIOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-2-5-14(6-3-1)22-19-20-12-10-15(23-19)17-16-7-4-11-21-25(16)24-18(17)13-8-9-13/h1-7,10-13H,8-9H2,(H,20,22,23).
What are the key properties of 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 328.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).