6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine

C18H16FN5O — CID 90310693

IUPAC6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine
SMILESNc1ccc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)nn1
InChIInChI=1S/C18H16FN5O/c19-16-13(14-7-8-15(20)24-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-9-2-10-22-18/h2,5-11H,1,3-4H2,(H2,20,24)
InChIKeyQCAMAVPFCHPFAQ-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.71
Rot. Bonds4

About 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine

6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine (PubChem CID 90310693) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine
PubChem CID90310693
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine
SMILESNc1ccc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)nn1
InChIInChI=1S/C18H16FN5O/c19-16-13(14-7-8-15(20)24-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-9-2-10-22-18/h2,5-11H,1,3-4H2,(H2,20,24)
InChIKeyQCAMAVPFCHPFAQ-UHFFFAOYSA-N
XLogP3.71
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine?
The IUPAC name of 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine (CID 90310693) is 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine is Nc1ccc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)nn1.
What is the InChIKey of 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine?
The InChIKey is QCAMAVPFCHPFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-16-13(14-7-8-15(20)24-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-9-2-10-22-18/h2,5-11H,1,3-4H2,(H2,20,24).
What are the key properties of 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine?
6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine has a molecular weight of 337.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 90310693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).