6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine

C25H26F4N8O2 — CID 90733507

IUPAC6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C25H26F4N8O2/c26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22/h1-4,11-12,14,22,30,34H,5-10,13,15H2/b36-33+
InChIKeyHNPOOYOCFDONOA-PKUSAGTQSA-N
MW546.53 g/mol
LogP4.55
Rot. Bonds7

About 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine

6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 90733507) has the molecular formula C25H26F4N8O2 and a molecular weight of 546.53 g/mol. Its IUPAC name is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID90733507
Molecular FormulaC25H26F4N8O2
Molecular Weight546.53 g/mol
Exact Mass546.21
IUPAC Name6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C25H26F4N8O2/c26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22/h1-4,11-12,14,22,30,34H,5-10,13,15H2/b36-33+
InChIKeyHNPOOYOCFDONOA-PKUSAGTQSA-N
XLogP4.55
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine with MolForge

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Related Compounds

2-(4-(2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)propan-2-ol
CID 52946246
US20240025922, Example 84
CID 170324461
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 72725513
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507503
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507730
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 68325427
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325534
(RS)-(2-Fluoro-4-morpholin-2-yl-phenyl)-(5-trifluoromethyl-pyrimidin-2-yl)-amine
CID 68325547
N-[4-[(2R)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 68325548
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyrimidin-5-amine
CID 68325553
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325609
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325631

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 90733507) is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine is Fc1cnc(/N=N/Cc2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is HNPOOYOCFDONOA-PKUSAGTQSA-N. The full InChI is InChI=1S/C25H26F4N8O2/c26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22/h1-4,11-12,14,22,30,34H,5-10,13,15H2/b36-33+.
What are the key properties of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine?
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 546.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 90733507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).