6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

C120H109ClF15N25 — CID 158750146

IUPAC6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CCNc2nc(C(F)F)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(C(F)F)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3c(F)cc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(Cl)cc23)cc1.Cc1cnc2ncnc(NCCc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C18H16F3N3.C18H17F2N3.2C17H15F3N4.C17H16F2N4.C17H15F2N3.C16H15ClN4/c1-11-2-4-12(5-3-11)8-9-22-17-14-10-13(19)6-7-15(14)23-18(24-17)16(20)21;1-12-2-4-13(5-3-12)8-9-21-18-15-10-14(20)6-7-16(15)22-17(11-19)23-18;1-11-8-14-15(23-10-24-16(14)22-9-11)21-7-6-12-2-4-13(5-3-12)17(18,19)20;1-10-2-4-11(5-3-10)6-7-21-15-13-8-12(18)9-22-16(13)24-17(23-15)14(19)20;1-11-2-4-12(5-3-11)6-7-20-16-14-8-13(19)10-21-17(14)23-15(9-18)22-16;1-11-2-4-12(5-3-11)6-7-20-17-14-8-13(18)9-15(19)16(14)21-10-22-17;1-11-2-4-12(5-3-11)6-7-18-15-14-8-13(17)9-19-16(14)21-10-20-15/h2-7,10,16H,8-9H2,1H3,(H,22,23,24);2-7,10H,8-9,11H2,1H3,(H,21,22,23);2-5,8-10H,6-7H2,1H3,(H,21,22,23,24);2-5,8-9,14H,6-7H2,1H3,(H,21,22,23,24);2-5,8,10H,6-7,9H2,1H3,(H,20,21,22,23);2-5,8-10H,6-7H2,1H3,(H,20,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19,20,21)
InChIKeyINJJGZXGCLDLEA-UHFFFAOYSA-N
MW2221.79 g/mol
LogP28.05
Rot. Bonds32

About 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine

6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 158750146) has the molecular formula C120H109ClF15N25 and a molecular weight of 2221.79 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID158750146
Molecular FormulaC120H109ClF15N25
Molecular Weight2221.79 g/mol
Exact Mass2219.87
IUPAC Name6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CCNc2nc(C(F)F)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(C(F)F)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3c(F)cc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(Cl)cc23)cc1.Cc1cnc2ncnc(NCCc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C18H16F3N3.C18H17F2N3.2C17H15F3N4.C17H16F2N4.C17H15F2N3.C16H15ClN4/c1-11-2-4-12(5-3-11)8-9-22-17-14-10-13(19)6-7-15(14)23-18(24-17)16(20)21;1-12-2-4-13(5-3-12)8-9-21-18-15-10-14(20)6-7-16(15)22-17(11-19)23-18;1-11-8-14-15(23-10-24-16(14)22-9-11)21-7-6-12-2-4-13(5-3-12)17(18,19)20;1-10-2-4-11(5-3-10)6-7-21-15-13-8-12(18)9-22-16(13)24-17(23-15)14(19)20;1-11-2-4-12(5-3-11)6-7-20-16-14-8-13(19)10-21-17(14)23-15(9-18)22-16;1-11-2-4-12(5-3-11)6-7-20-17-14-8-13(18)9-15(19)16(14)21-10-22-17;1-11-2-4-12(5-3-11)6-7-18-15-14-8-13(17)9-19-16(14)21-10-20-15/h2-7,10,16H,8-9H2,1H3,(H,22,23,24);2-7,10H,8-9,11H2,1H3,(H,21,22,23);2-5,8-10H,6-7H2,1H3,(H,21,22,23,24);2-5,8-9,14H,6-7H2,1H3,(H,21,22,23,24);2-5,8,10H,6-7,9H2,1H3,(H,20,21,22,23);2-5,8-10H,6-7H2,1H3,(H,20,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19,20,21)
InChIKeyINJJGZXGCLDLEA-UHFFFAOYSA-N
XLogP28.05
TPSA316.23 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002221.79
LogP ≤ 528.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine (CID 158750146) is 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(CCNc2nc(C(F)F)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(C(F)F)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ccc(F)cc23)cc1.Cc1ccc(CCNc2nc(CF)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3c(F)cc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(Cl)cc23)cc1.Cc1cnc2ncnc(NCCc3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is INJJGZXGCLDLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3.C18H17F2N3.2C17H15F3N4.C17H16F2N4.C17H15F2N3.C16H15ClN4/c1-11-2-4-12(5-3-11)8-9-22-17-14-10-13(19)6-7-15(14)23-18(24-17)16(20)21;1-12-2-4-13(5-3-12)8-9-21-18-15-10-14(20)6-7-16(15)22-17(11-19)23-18;1-11-8-14-15(23-10-24-16(14)22-9-11)21-7-6-12-2-4-13(5-3-12)17(18,19)20;1-10-2-4-11(5-3-10)6-7-21-15-13-8-12(18)9-22-16(13)24-17(23-15)14(19)20;1-11-2-4-12(5-3-11)6-7-20-16-14-8-13(19)10-21-17(14)23-15(9-18)22-16;1-11-2-4-12(5-3-11)6-7-20-17-14-8-13(18)9-15(19)16(14)21-10-22-17;1-11-2-4-12(5-3-11)6-7-18-15-14-8-13(17)9-19-16(14)21-10-20-15/h2-7,10,16H,8-9H2,1H3,(H,22,23,24);2-7,10H,8-9,11H2,1H3,(H,21,22,23);2-5,8-10H,6-7H2,1H3,(H,21,22,23,24);2-5,8-9,14H,6-7H2,1H3,(H,21,22,23,24);2-5,8,10H,6-7,9H2,1H3,(H,20,21,22,23);2-5,8-10H,6-7H2,1H3,(H,20,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19,20,21).
What are the key properties of 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine?
6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2221.79 g/mol, XLogP of 28.05, 32 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;2-(difluoromethyl)-6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6,8-difluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;6-fluoro-2-(fluoromethyl)-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;6-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158750146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).