N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen

C20H21F3N6O2 — CID 169200827

IUPACN-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
SMILESC[C@H]1CN(c2nc(F)cc(Nc3cc(-c4ccc(OC(F)F)cc4)cnn3)n2)CCO1.[H][H]
InChIInChI=1S/C20H19F3N6O2.H2/c1-12-11-29(6-7-30-12)20-25-16(21)9-17(27-20)26-18-8-14(10-24-28-18)13-2-4-15(5-3-13)31-19(22)23;/h2-5,8-10,12,19H,6-7,11H2,1H3,(H,25,26,27,28);1H/t12-;/m0./s1
InChIKeyXGSLFRRDOJMRDW-YDALLXLXSA-N
MW434.42 g/mol
LogP3.89
Rot. Bonds6

About N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen

N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen (PubChem CID 169200827) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
PubChem CID169200827
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen
SMILESC[C@H]1CN(c2nc(F)cc(Nc3cc(-c4ccc(OC(F)F)cc4)cnn3)n2)CCO1.[H][H]
InChIInChI=1S/C20H19F3N6O2.H2/c1-12-11-29(6-7-30-12)20-25-16(21)9-17(27-20)26-18-8-14(10-24-28-18)13-2-4-15(5-3-13)31-19(22)23;/h2-5,8-10,12,19H,6-7,11H2,1H3,(H,25,26,27,28);1H/t12-;/m0./s1
InChIKeyXGSLFRRDOJMRDW-YDALLXLXSA-N
XLogP3.89
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen?
The IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen (CID 169200827) is N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen?
The canonical SMILES for N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen is C[C@H]1CN(c2nc(F)cc(Nc3cc(-c4ccc(OC(F)F)cc4)cnn3)n2)CCO1.[H][H].
What is the InChIKey of N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen?
The InChIKey is XGSLFRRDOJMRDW-YDALLXLXSA-N. The full InChI is InChI=1S/C20H19F3N6O2.H2/c1-12-11-29(6-7-30-12)20-25-16(21)9-17(27-20)26-18-8-14(10-24-28-18)13-2-4-15(5-3-13)31-19(22)23;/h2-5,8-10,12,19H,6-7,11H2,1H3,(H,25,26,27,28);1H/t12-;/m0./s1.
What are the key properties of N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen?
N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen has a molecular weight of 434.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]-6-fluoro-2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 169200827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).