N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one

C102H106N14O7 — CID 157345255

IUPACN-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
SMILESC=C(NCCOC)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1
InChIInChI=1S/C29H32N4O2.C25H26N4O2.C25H25N3O2.C23H23N3O/c1-21-17-22-10-11-26(20-24(22)18-21)35-28-12-13-30-29(32-28)31-25-8-5-7-23(19-25)27(34)9-6-16-33-14-3-2-4-15-33;1-17-13-20-7-8-23(16-21(20)14-17)31-24-9-10-27-25(29-24)28-22-6-4-5-19(15-22)18(2)26-11-12-30-3;1-3-22(29)9-7-18-5-4-6-21(15-18)27-25-26-12-11-24(28-25)30-23-10-8-19-13-17(2)14-20(19)16-23;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H,30,31,32);4-10,14-16,26H,2,11-13H2,1,3H3,(H,27,28,29);4-6,8,10-12,14-16H,3,7,9,13H2,1-2H3,(H,26,27,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26)
InChIKeyBGWQKCKOSWGQMX-UHFFFAOYSA-N
MW1640.06 g/mol
LogP23.41
Rot. Bonds32

About N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one

N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one (PubChem CID 157345255) has the molecular formula C102H106N14O7 and a molecular weight of 1640.06 g/mol. Its IUPAC name is N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound NameN-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
PubChem CID157345255
Molecular FormulaC102H106N14O7
Molecular Weight1640.06 g/mol
Exact Mass1638.84
IUPAC NameN-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
SMILESC=C(NCCOC)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1
InChIInChI=1S/C29H32N4O2.C25H26N4O2.C25H25N3O2.C23H23N3O/c1-21-17-22-10-11-26(20-24(22)18-21)35-28-12-13-30-29(32-28)31-25-8-5-7-23(19-25)27(34)9-6-16-33-14-3-2-4-15-33;1-17-13-20-7-8-23(16-21(20)14-17)31-24-9-10-27-25(29-24)28-22-6-4-5-19(15-22)18(2)26-11-12-30-3;1-3-22(29)9-7-18-5-4-6-21(15-18)27-25-26-12-11-24(28-25)30-23-10-8-19-13-17(2)14-20(19)16-23;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H,30,31,32);4-10,14-16,26H,2,11-13H2,1,3H3,(H,27,28,29);4-6,8,10-12,14-16H,3,7,9,13H2,1-2H3,(H,26,27,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26)
InChIKeyBGWQKCKOSWGQMX-UHFFFAOYSA-N
XLogP23.41
TPSA246.80 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001640.06
LogP ≤ 523.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one with MolForge

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Related Compounds

2-[4-[2-(Cyclopentylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethanone
CID 59614440
1-(3-Fluoro-5-piperidin-1-ylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]ethanone
CID 59614474
1-(3-Fluoro-5-piperidin-1-ylphenyl)-2-[4-[2-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]ethanone
CID 59614475
1-[3-Fluoro-5-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-morpholin-4-ylpyrimidin-4-yl)oxynaphthalen-1-yl]ethanone
CID 59614479
2-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]oxynaphthalen-1-yl]-1-(3-fluoro-5-piperidin-1-ylphenyl)ethanone
CID 59614489
2-[4-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-1-(3-fluoro-5-morpholin-4-ylphenyl)ethanone
CID 148072508
1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
CID 149350603
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157051306
1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
CID 157372280
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 157582887
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-isocyanopyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157917560
4-[[4-(2-cyano-3-methylphenoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[4-(2-cyano-4-methylphenoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[[4-(2-cyanophenoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 158752825

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
The IUPAC name of N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one (CID 157345255) is N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one.
What is the SMILES notation for N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
The canonical SMILES for N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one is C=C(NCCOC)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CCC(=O)CCc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.
What is the InChIKey of N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
The InChIKey is BGWQKCKOSWGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.C25H26N4O2.C25H25N3O2.C23H23N3O/c1-21-17-22-10-11-26(20-24(22)18-21)35-28-12-13-30-29(32-28)31-25-8-5-7-23(19-25)27(34)9-6-16-33-14-3-2-4-15-33;1-17-13-20-7-8-23(16-21(20)14-17)31-24-9-10-27-25(29-24)28-22-6-4-5-19(15-22)18(2)26-11-12-30-3;1-3-22(29)9-7-18-5-4-6-21(15-18)27-25-26-12-11-24(28-25)30-23-10-8-19-13-17(2)14-20(19)16-23;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H,30,31,32);4-10,14-16,26H,2,11-13H2,1,3H3,(H,27,28,29);4-6,8,10-12,14-16H,3,7,9,13H2,1-2H3,(H,26,27,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26).
What are the key properties of N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one?
N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one has a molecular weight of 1640.06 g/mol, XLogP of 23.41, 32 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 157345255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).