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

C21H21F3N6O — CID 169200837

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
SMILESC[C@@H]1CN(c2nccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)n2)C[C@H](C)O1
InChIInChI=1S/C21H21F3N6O/c1-13-11-30(12-14(2)31-13)20-25-8-7-18(28-20)27-19-9-16(10-26-29-19)15-3-5-17(6-4-15)21(22,23)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,27,28,29)/t13-,14+
InChIKeyPBHQFIRJQVCCKM-OKILXGFUSA-N
MW430.43 g/mol
LogP4.31
Rot. Bonds4

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

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine (PubChem CID 169200837) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
PubChem CID169200837
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
SMILESC[C@@H]1CN(c2nccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)n2)C[C@H](C)O1
InChIInChI=1S/C21H21F3N6O/c1-13-11-30(12-14(2)31-13)20-25-8-7-18(28-20)27-19-9-16(10-26-29-19)15-3-5-17(6-4-15)21(22,23)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,27,28,29)/t13-,14+
InChIKeyPBHQFIRJQVCCKM-OKILXGFUSA-N
XLogP4.31
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[4-(2,2-difluoroethyl)phenyl]pyridazin-3-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 171576688
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
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
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-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
CID 169200751
5-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 177124072
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 141417445

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine (CID 169200837) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine is C[C@@H]1CN(c2nccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)n2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The InChIKey is PBHQFIRJQVCCKM-OKILXGFUSA-N. The full InChI is InChI=1S/C21H21F3N6O/c1-13-11-30(12-14(2)31-13)20-25-8-7-18(28-20)27-19-9-16(10-26-29-19)15-3-5-17(6-4-15)21(22,23)24/h3-10,13-14H,11-12H2,1-2H3,(H,25,27,28,29)/t13-,14+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine has a molecular weight of 430.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 169200837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).