4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine

C20H21F2N5O — CID 169200634

IUPAC4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine
SMILESCCN(CC)c1cc(Nc2cc(-c3ccc(OC(F)F)cc3)cnn2)ccn1
InChIInChI=1S/C20H21F2N5O/c1-3-27(4-2)19-12-16(9-10-23-19)25-18-11-15(13-24-26-18)14-5-7-17(8-6-14)28-20(21)22/h5-13,20H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyJRLFNQXPYIMVMX-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.73
Rot. Bonds8

About 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine

4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine (PubChem CID 169200634) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine
PubChem CID169200634
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine
SMILESCCN(CC)c1cc(Nc2cc(-c3ccc(OC(F)F)cc3)cnn2)ccn1
InChIInChI=1S/C20H21F2N5O/c1-3-27(4-2)19-12-16(9-10-23-19)25-18-11-15(13-24-26-18)14-5-7-17(8-6-14)28-20(21)22/h5-13,20H,3-4H2,1-2H3,(H,23,25,26)
InChIKeyJRLFNQXPYIMVMX-UHFFFAOYSA-N
XLogP4.73
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
CID 169200912
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 171576676
4-N-[5-[4-(difluoromethoxy)phenyl]-2-fluoro-3-pyridinyl]-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine;ethane
CID 169200659
4-[4-(difluoromethoxy)anilino]pyridine-2-carbothioamide
CID 62926773
N-[4-[2-(diethylamino)ethoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]pyrimidin-2-amine
CID 25195612
N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
CID 169200827
6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282177
2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
CID 15114080
5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine
CID 169200929
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
N,N-diethyl-4-methylpyridin-2-amine
CID 14197874
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine?
The IUPAC name of 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine (CID 169200634) is 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine is CCN(CC)c1cc(Nc2cc(-c3ccc(OC(F)F)cc3)cnn2)ccn1.
What is the InChIKey of 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine?
The InChIKey is JRLFNQXPYIMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-3-27(4-2)19-12-16(9-10-23-19)25-18-11-15(13-24-26-18)14-5-7-17(8-6-14)28-20(21)22/h5-13,20H,3-4H2,1-2H3,(H,23,25,26).
What are the key properties of 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine?
4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine has a molecular weight of 385.42 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-2-N,2-N-diethylpyridine-2,4-diamine is sourced from PubChem (CID 169200634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).