N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine

C22H22ClFN6O2 — CID 59151132

IUPACN-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine
SMILESCOc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C22H22ClFN6O2/c1-31-22-19(27-16-4-2-3-15(23)11-16)6-5-17(28-22)12-25-14-20-26-13-18(24)21(29-20)30-7-9-32-10-8-30/h2-6,11-13,27H,7-10,14H2,1H3/b25-12+
InChIKeyDQKGZKLJMZHBRA-BRJLIKDPSA-N
MW456.91 g/mol
LogP3.87
Rot. Bonds7

About N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine

N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine (PubChem CID 59151132) has the molecular formula C22H22ClFN6O2 and a molecular weight of 456.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine
PubChem CID59151132
Molecular FormulaC22H22ClFN6O2
Molecular Weight456.91 g/mol
Exact Mass456.15
IUPAC NameN-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine
SMILESCOc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(Cl)c1
InChIInChI=1S/C22H22ClFN6O2/c1-31-22-19(27-16-4-2-3-15(23)11-16)6-5-17(28-22)12-25-14-20-26-13-18(24)21(29-20)30-7-9-32-10-8-30/h2-6,11-13,27H,7-10,14H2,1H3/b25-12+
InChIKeyDQKGZKLJMZHBRA-BRJLIKDPSA-N
XLogP3.87
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 9945229
4-(5-Chloro-2-methoxyanilino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine
CID 22732469
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 45380693
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 56680575
N-(2-((5-Chloro-2-((2-methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide
CID 138454747
5-chloro-4-N-(3-methoxyphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665840
5-chloro-4-N-(4-methoxyphenyl)-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 155665853
4-Chloro-N-[2-methoxy-5-(4-methyl-6-morpholin-4-yl-pyrimidin-5-ylethynyl)-pyridin-3-yl]-benzenesulfonamide
CID 60142041
N-{4-(3-Chloro-4-fluoro-phenylamino)-7-[3-(4-methyl-piperazin-1-yl)-propoxy]-pyrido[3,2-d]pyrimidin-6-yl}-acrylamide
CID 10672994
N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-pyrido[3,2-d]pyrimidin-6-yl]-N-methyl-acrylamide
CID 10791534
N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-pyrido[3,2-d]pyrimidin-6-yl]-acrylamide
CID 11799155

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine (CID 59151132) is N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine is COc1nc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine?
The InChIKey is DQKGZKLJMZHBRA-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H22ClFN6O2/c1-31-22-19(27-16-4-2-3-15(23)11-16)6-5-17(28-22)12-25-14-20-26-13-18(24)21(29-20)30-7-9-32-10-8-30/h2-6,11-13,27H,7-10,14H2,1H3/b25-12+.
What are the key properties of N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine?
N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine has a molecular weight of 456.91 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 59151132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).