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

C22H21F4N7O2 — CID 91419166

IUPAC6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCOc1nc(C/N=N/c2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F4N7O2/c1-34-20-18(29-15-4-2-3-14(11-15)22(24,25)26)6-5-16(30-20)12-28-32-21-27-13-17(23)19(31-21)33-7-9-35-10-8-33/h2-6,11,13,29H,7-10,12H2,1H3/b32-28+
InChIKeySLIDFYGDPRGRKG-VEWQFJOQSA-N
MW491.45 g/mol
LogP4.90
Rot. Bonds7

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

6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 91419166) has the molecular formula C22H21F4N7O2 and a molecular weight of 491.45 g/mol. Its IUPAC name is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID91419166
Molecular FormulaC22H21F4N7O2
Molecular Weight491.45 g/mol
Exact Mass491.17
IUPAC Name6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCOc1nc(C/N=N/c2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F4N7O2/c1-34-20-18(29-15-4-2-3-14(11-15)22(24,25)26)6-5-16(30-20)12-28-32-21-27-13-17(23)19(31-21)33-7-9-35-10-8-33/h2-6,11,13,29H,7-10,12H2,1H3/b32-28+
InChIKeySLIDFYGDPRGRKG-VEWQFJOQSA-N
XLogP4.90
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Inixaciclib
CID 139390026
US9765058, Example 2-2-10
CID 86580572
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
(16E)-14-methyl-20-oxa-5,7,14,22,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739948
4-(2-Methoxy-5-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732426
4-(2-Methoxypyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131556
4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083
4-(5-(3,6-Dihydro-2H-pyran-4-YL)-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49785436
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-2-methyl-1,2,4-triazol-3-amine
CID 49872483
3-(6-(6-Methoxypyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908894
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 91419166) is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is COc1nc(C/N=N/c2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is SLIDFYGDPRGRKG-VEWQFJOQSA-N. The full InChI is InChI=1S/C22H21F4N7O2/c1-34-20-18(29-15-4-2-3-14(11-15)22(24,25)26)6-5-16(30-20)12-28-32-21-27-13-17(23)19(31-21)33-7-9-35-10-8-33/h2-6,11,13,29H,7-10,12H2,1H3/b32-28+.
What are the key properties of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 491.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 91419166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).