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

C27H25ClFN7O — CID 91439463

IUPACN-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cccc(Cl)c1-c1ccc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc1
InChIInChI=1S/C27H25ClFN7O/c1-18-3-2-4-23(28)25(18)19-5-7-20(8-6-19)33-22-10-9-21(30-15-22)16-32-35-27-31-17-24(29)26(34-27)36-11-13-37-14-12-36/h2-10,15,17,33H,11-14,16H2,1H3/b35-32+
InChIKeyFBRGGZZJSOYQIB-LVYIWIAJSA-N
MW518.00 g/mol
LogP6.50
Rot. Bonds7

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

N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (PubChem CID 91439463) has the molecular formula C27H25ClFN7O and a molecular weight of 518.00 g/mol. Its IUPAC name is N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
PubChem CID91439463
Molecular FormulaC27H25ClFN7O
Molecular Weight518.00 g/mol
Exact Mass517.18
IUPAC NameN-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine
SMILESCc1cccc(Cl)c1-c1ccc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc1
InChIInChI=1S/C27H25ClFN7O/c1-18-3-2-4-23(28)25(18)19-5-7-20(8-6-19)33-22-10-9-21(30-15-22)16-32-35-27-31-17-24(29)26(34-27)36-11-13-37-14-12-36/h2-10,15,17,33H,11-14,16H2,1H3/b35-32+
InChIKeyFBRGGZZJSOYQIB-LVYIWIAJSA-N
XLogP6.50
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.00
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Bisanilinopyrimidine, 9k
CID 70702158
4-(4-(1-Amino-1-Methylethyl)Phenyl)-5-Chloro-N-(4-(2-Morpholin-4-Ylethyl)Phenyl)Pyrimidin-2-Amine
CID 447622
7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine
CID 155233433
N-[4-[(3-chloro-4-fluorophenyl)methyl]-7-[(E)-4-morpholin-4-ylbut-1-enyl]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564527
N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946
N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
4-(2-chloro-6-methylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54582584
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-(4-morpholinyl)-4-pyrimidinyl]-3-quinolinamine
CID 59507663
4-(3-chloro-4-fluorophenyl)-5-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrimidin-2-amine
CID 66576708
5-chloro-4-N-(2-methylphenyl)-2-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 156009866
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)pyridin-2-amine
CID 70793991

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The IUPAC name of N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine (CID 91439463) is N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The canonical SMILES for N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is Cc1cccc(Cl)c1-c1ccc(Nc2ccc(C/N=N/c3ncc(F)c(N4CCOCC4)n3)nc2)cc1.
What is the InChIKey of N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
The InChIKey is FBRGGZZJSOYQIB-LVYIWIAJSA-N. The full InChI is InChI=1S/C27H25ClFN7O/c1-18-3-2-4-23(28)25(18)19-5-7-20(8-6-19)33-22-10-9-21(30-15-22)16-32-35-27-31-17-24(29)26(34-27)36-11-13-37-14-12-36/h2-10,15,17,33H,11-14,16H2,1H3/b35-32+.
What are the key properties of N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine?
N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine has a molecular weight of 518.00 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-6-methylphenyl)phenyl]-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91439463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).