2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine

C16H16F4N4O — CID 133338770

IUPAC2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
SMILESCC1CN(c2ccc(CNc3c(F)c(F)nc(F)c3F)cn2)CCO1
InChIInChI=1S/C16H16F4N4O/c1-9-8-24(4-5-25-9)11-3-2-10(6-21-11)7-22-14-12(17)15(19)23-16(20)13(14)18/h2-3,6,9H,4-5,7-8H2,1H3,(H,22,23)
InChIKeyHDVDMASVFNOPTQ-UHFFFAOYSA-N
MW356.32 g/mol
LogP2.87
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine (PubChem CID 133338770) has the molecular formula C16H16F4N4O and a molecular weight of 356.32 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
PubChem CID133338770
Molecular FormulaC16H16F4N4O
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
SMILESCC1CN(c2ccc(CNc3c(F)c(F)nc(F)c3F)cn2)CCO1
InChIInChI=1S/C16H16F4N4O/c1-9-8-24(4-5-25-9)11-3-2-10(6-21-11)7-22-14-12(17)15(19)23-16(20)13(14)18/h2-3,6,9H,4-5,7-8H2,1H3,(H,22,23)
InChIKeyHDVDMASVFNOPTQ-UHFFFAOYSA-N
XLogP2.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine with MolForge

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Related Compounds

5-[(4-fluorophenyl)methyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133456212
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline
CID 60504922
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382775
N',4-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111209772
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56815402
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine (CID 133338770) is 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine is CC1CN(c2ccc(CNc3c(F)c(F)nc(F)c3F)cn2)CCO1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine?
The InChIKey is HDVDMASVFNOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O/c1-9-8-24(4-5-25-9)11-3-2-10(6-21-11)7-22-14-12(17)15(19)23-16(20)13(14)18/h2-3,6,9H,4-5,7-8H2,1H3,(H,22,23).
What are the key properties of 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine has a molecular weight of 356.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine is sourced from PubChem (CID 133338770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).