N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine

C22H24F2N6O — CID 171576688

IUPACN-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
SMILESC[C@@H]1CN(c2nccc(Nc3cc(-c4ccc(CC(F)F)cc4)cnn3)n2)C[C@H](C)O1
InChIInChI=1S/C22H24F2N6O/c1-14-12-30(13-15(2)31-14)22-25-8-7-20(28-22)27-21-10-18(11-26-29-21)17-5-3-16(4-6-17)9-19(23)24/h3-8,10-11,14-15,19H,9,12-13H2,1-2H3,(H,25,27,28,29)/t14-,15+
InChIKeyFGMDUOLUJGYQLZ-GASCZTMLSA-N
MW426.47 g/mol
LogP4.10
Rot. Bonds6

About N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine

N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine (PubChem CID 171576688) has the molecular formula C22H24F2N6O and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
PubChem CID171576688
Molecular FormulaC22H24F2N6O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC NameN-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
SMILESC[C@@H]1CN(c2nccc(Nc3cc(-c4ccc(CC(F)F)cc4)cnn3)n2)C[C@H](C)O1
InChIInChI=1S/C22H24F2N6O/c1-14-12-30(13-15(2)31-14)22-25-8-7-20(28-22)27-21-10-18(11-26-29-21)17-5-3-16(4-6-17)9-19(23)24/h3-8,10-11,14-15,19H,9,12-13H2,1-2H3,(H,25,27,28,29)/t14-,15+
InChIKeyFGMDUOLUJGYQLZ-GASCZTMLSA-N
XLogP4.10
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 169200837
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(2-fluoro-4-methoxyphenyl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200487
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 171576676
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 176801044
N-[4-[2-(difluoromethyl)indazol-5-yl]-2-pyridinyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 178129764
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
CID 169200751
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-N-[5-(5-methoxypyrazin-2-yl)pyridazin-3-yl]pyrimidin-4-amine
CID 169200711
N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
CID 169200827
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine
CID 169200316
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrimidin-4-amine
CID 169200639
3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
CID 169200496
(2R,6R)-4-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 95808524

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine (CID 171576688) is N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine is C[C@@H]1CN(c2nccc(Nc3cc(-c4ccc(CC(F)F)cc4)cnn3)n2)C[C@H](C)O1.
What is the InChIKey of N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
The InChIKey is FGMDUOLUJGYQLZ-GASCZTMLSA-N. The full InChI is InChI=1S/C22H24F2N6O/c1-14-12-30(13-15(2)31-14)22-25-8-7-20(28-22)27-21-10-18(11-26-29-21)17-5-3-16(4-6-17)9-19(23)24/h3-8,10-11,14-15,19H,9,12-13H2,1-2H3,(H,25,27,28,29)/t14-,15+.
What are the key properties of N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine?
N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine has a molecular weight of 426.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 171576688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).