ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine

C40H53F3N8O3 — CID 162286988

IUPACethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine
SMILESC=C.C=C.Cc1ccc(Nc2cc(NCCN3CCOCC3)ccn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ccn2)cc1
InChIInChI=1S/C18H21F3N4O2.C18H24N4O.2C2H4/c19-18(20,21)27-16-3-1-14(2-4-16)24-17-13-15(5-6-23-17)22-7-8-25-9-11-26-12-10-25;1-15-2-4-16(5-3-15)21-18-14-17(6-7-20-18)19-8-9-22-10-12-23-13-11-22;2*1-2/h1-6,13H,7-12H2,(H2,22,23,24);2-7,14H,8-13H2,1H3,(H2,19,20,21);2*1-2H2
InChIKeyVTIDRSXPNBXWNS-UHFFFAOYSA-N
MW750.91 g/mol
LogP7.95
Rot. Bonds13

About ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine

ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine (PubChem CID 162286988) has the molecular formula C40H53F3N8O3 and a molecular weight of 750.91 g/mol. Its IUPAC name is ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Nameethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine
PubChem CID162286988
Molecular FormulaC40H53F3N8O3
Molecular Weight750.91 g/mol
Exact Mass750.42
IUPAC Nameethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine
SMILESC=C.C=C.Cc1ccc(Nc2cc(NCCN3CCOCC3)ccn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ccn2)cc1
InChIInChI=1S/C18H21F3N4O2.C18H24N4O.2C2H4/c19-18(20,21)27-16-3-1-14(2-4-16)24-17-13-15(5-6-23-17)22-7-8-25-9-11-26-12-10-25;1-15-2-4-16(5-3-15)21-18-14-17(6-7-20-18)19-8-9-22-10-12-23-13-11-22;2*1-2/h1-6,13H,7-12H2,(H2,22,23,24);2-7,14H,8-13H2,1H3,(H2,19,20,21);2*1-2H2
InChIKeyVTIDRSXPNBXWNS-UHFFFAOYSA-N
XLogP7.95
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 57.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
N-(2-morpholin-4-yl-ethyl)-N'-(4-trifluoromethoxy-phenyl)-pyrimidine-4,6-diamine
CID 5312285
(S)-N-(4-methoxyphenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24771838
5-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluoromethoxy)phenyl)pyrimidine-4,6-diamine
CID 44194781
6-(2-Morpholinoethylamino)-4-(4-phenoxyphenylamino)-1,7-naphthyridine-3-carbonitrile
CID 44405504
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
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
4-N-(1-benzylpiperidin-4-yl)-2-N-(4-methoxyphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine
CID 44526644

Frequently Asked Questions

What is the IUPAC name of ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine?
The IUPAC name of ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine (CID 162286988) is ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine?
The canonical SMILES for ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine is C=C.C=C.Cc1ccc(Nc2cc(NCCN3CCOCC3)ccn2)cc1.FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ccn2)cc1.
What is the InChIKey of ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine?
The InChIKey is VTIDRSXPNBXWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2.C18H24N4O.2C2H4/c19-18(20,21)27-16-3-1-14(2-4-16)24-17-13-15(5-6-23-17)22-7-8-25-9-11-26-12-10-25;1-15-2-4-16(5-3-15)21-18-14-17(6-7-20-18)19-8-9-22-10-12-23-13-11-22;2*1-2/h1-6,13H,7-12H2,(H2,22,23,24);2-7,14H,8-13H2,1H3,(H2,19,20,21);2*1-2H2.
What are the key properties of ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine?
ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine has a molecular weight of 750.91 g/mol, XLogP of 7.95, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine;4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 162286988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).