6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

C46H44F8N12O2 — CID 91306939

IUPAC6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F
InChIInChI=1S/2C23H22F4N6O/c1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27/h2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3/b28-12+;28-10+
InChIKeyHXHVOBDSUANSCJ-DRVLMYFRSA-N
MW948.92 g/mol
LogP9.15
Rot. Bonds12

About 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 91306939) has the molecular formula C46H44F8N12O2 and a molecular weight of 948.92 g/mol. Its IUPAC name is 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID91306939
Molecular FormulaC46H44F8N12O2
Molecular Weight948.92 g/mol
Exact Mass948.36
IUPAC Name6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F
InChIInChI=1S/2C23H22F4N6O/c1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27/h2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3/b28-12+;28-10+
InChIKeyHXHVOBDSUANSCJ-DRVLMYFRSA-N
XLogP9.15
TPSA151.06 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.92
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Buparlisib
CID 16654980
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053
6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-(phenylmethyl)pyrimidin-4-amine
CID 156587340
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884549
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687

Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 91306939) is 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is CC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F.
What is the InChIKey of 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is HXHVOBDSUANSCJ-DRVLMYFRSA-N. The full InChI is InChI=1S/2C23H22F4N6O/c1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27/h2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3/b28-12+;28-10+.
What are the key properties of 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?
6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 948.92 g/mol, XLogP of 9.15, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 91306939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).