6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine

C92H98Cl2N28O4 — CID 158967991

IUPAC6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3cc(-n4ccnc4Nc4c(C)cccc4C)ncn3)cc2)CC1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3C)ncn2)cc1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3Cl)ncn2)cc1.Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
InChIInChI=1S/C27H32N8.C24H26N6O2.C23H23ClN6O2.C18H17ClN8/c1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3;1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3;1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2;1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31);4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28);3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28);3-11H,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyJNLJJPKNJMHIOT-UHFFFAOYSA-N
MW1730.89 g/mol
LogP18.68
Rot. Bonds30

About 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine

6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine (PubChem CID 158967991) has the molecular formula C92H98Cl2N28O4 and a molecular weight of 1730.89 g/mol. Its IUPAC name is 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
PubChem CID158967991
Molecular FormulaC92H98Cl2N28O4
Molecular Weight1730.89 g/mol
Exact Mass1728.77
IUPAC Name6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3cc(-n4ccnc4Nc4c(C)cccc4C)ncn3)cc2)CC1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3C)ncn2)cc1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3Cl)ncn2)cc1.Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
InChIInChI=1S/C27H32N8.C24H26N6O2.C23H23ClN6O2.C18H17ClN8/c1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3;1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3;1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2;1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31);4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28);3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28);3-11H,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyJNLJJPKNJMHIOT-UHFFFAOYSA-N
XLogP18.68
TPSA331.86 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001730.89
LogP ≤ 518.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine (CID 158967991) is 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine is CCN1CCN(c2ccc(Nc3cc(-n4ccnc4Nc4c(C)cccc4C)ncn3)cc2)CC1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3C)ncn2)cc1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3Cl)ncn2)cc1.Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1.
What is the InChIKey of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is JNLJJPKNJMHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8.C24H26N6O2.C23H23ClN6O2.C18H17ClN8/c1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3;1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3;1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2;1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31);4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28);3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28);3-11H,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine?
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 1730.89 g/mol, XLogP of 18.68, 30 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 158967991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).