ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine

C41H60F3N9O2 — CID 145145424

About ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine

ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine (PubChem CID 145145424) has the molecular formula C41H60F3N9O2 and a molecular weight of 767.99 g/mol. Its IUPAC name is ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine.

Molecular Properties

• Compound Name: ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine
• PubChem CID: 145145424
• Molecular Formula: C41H60F3N9O2
• Molecular Weight: 767.99 g/mol
• Exact Mass: 767.48
• IUPAC Name: ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine
• SMILES: C=C(F)C(=C)C=C(C)C.CC.CCN.CNC.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)c3C(=O)N(C)C)ccc2[nH]1
• InChI: InChI=1S/C27H29F2N7O2.C8H11F.2C2H7N.C2H6/c1-16-13-18-20(32-16)6-8-22(24(18)29)38-26-23(27(37)34(2)3)25(30-15-31-26)33-17-5-7-21(19(28)14-17)36-11-9-35(4)10-12-36;1-6(2)5-7(3)8(4)9;1-3-2;1-2-3;1-2/h5-8,13-15,32H,9-12H2,1-4H3,(H,30,31,33);5H,3-4H2,1-2H3;3H,1-2H3;2-3H2,1H3;1-2H3
• InChIKey: SLZVABZICOFGRL-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 127.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.99
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine?

The IUPAC name of ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine (CID 145145424) is ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine.

What is the SMILES notation for ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine?

The canonical SMILES for ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine is C=C(F)C(=C)C=C(C)C.CC.CCN.CNC.Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)c3C(=O)N(C)C)ccc2[nH]1.

What is the InChIKey of ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine?

The InChIKey is SLZVABZICOFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O2.C8H11F.2C2H7N.C2H6/c1-16-13-18-20(32-16)6-8-22(24(18)29)38-26-23(27(37)34(2)3)25(30-15-31-26)33-17-5-7-21(19(28)14-17)36-11-9-35(4)10-12-36;1-6(2)5-7(3)8(4)9;1-3-2;1-2-3;1-2/h5-8,13-15,32H,9-12H2,1-4H3,(H,30,31,33);5H,3-4H2,1-2H3;3H,1-2H3;2-3H2,1H3;1-2H3.

What are the key properties of ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine?

ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine has a molecular weight of 767.99 g/mol, XLogP of 8.35, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethanamine;ethane;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-N,N-dimethylpyrimidine-5-carboxamide;2-fluoro-5-methyl-3-methylidenehexa-1,4-diene;N-methylmethanamine is sourced from PubChem (CID 145145424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).