N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine

C25H23ClFN9O — CID 91039351

IUPACN-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc(Cl)c1-c1ccncn1
InChIInChI=1S/C25H23ClFN9O/c1-16-10-19(11-20(26)23(16)22-4-5-28-15-31-22)33-18-3-2-17(29-12-18)13-32-35-25-30-14-21(27)24(34-25)36-6-8-37-9-7-36/h2-5,10-12,14-15,33H,6-9,13H2,1H3/b35-32+
InChIKeyXESNXHCLESNICC-LVYIWIAJSA-N
MW519.97 g/mol
LogP5.29
Rot. Bonds7

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

N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 91039351) has the molecular formula C25H23ClFN9O and a molecular weight of 519.97 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID91039351
Molecular FormulaC25H23ClFN9O
Molecular Weight519.97 g/mol
Exact Mass519.17
IUPAC NameN-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc(Cl)c1-c1ccncn1
InChIInChI=1S/C25H23ClFN9O/c1-16-10-19(11-20(26)23(16)22-4-5-28-15-31-22)33-18-3-2-17(29-12-18)13-32-35-25-30-14-21(27)24(34-25)36-6-8-37-9-7-36/h2-5,10-12,14-15,33H,6-9,13H2,1H3/b35-32+
InChIKeyXESNXHCLESNICC-LVYIWIAJSA-N
XLogP5.29
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.97
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
7-chloro-N-[4-fluoro-3-[[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]phenyl]quinolin-4-amine
CID 117827421
2-N-(3-chloro-4-fluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494015
5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
CID 10365652
5-N-[(3-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
CID 11112897
5-(3-Chloro-phenyl)-6-(4-dimethylamino-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11249663
1-(4-Chloro-3-pyridin-3-ylphenyl)-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 145955821
1-(4-Chloro-3-pyridin-4-ylphenyl)-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 145959468
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155527525
N-(7-chloroquinolin-4-yl)-N'-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 155527814
7-chloro-N-[4-fluoro-3-[[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]quinolin-4-amine
CID 155553473

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The IUPAC name of N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (CID 91039351) is N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is Cc1cc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc(Cl)c1-c1ccncn1.
What is the InChIKey of N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is XESNXHCLESNICC-LVYIWIAJSA-N. The full InChI is InChI=1S/C25H23ClFN9O/c1-16-10-19(11-20(26)23(16)22-4-5-28-15-31-22)33-18-3-2-17(29-12-18)13-32-35-25-30-14-21(27)24(34-25)36-6-8-37-9-7-36/h2-5,10-12,14-15,33H,6-9,13H2,1H3/b35-32+.
What are the key properties of N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine has a molecular weight of 519.97 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-4-pyrimidin-4-ylphenyl)-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91039351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).