N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine

C46H39Cl3F3N13O — CID 158191141

About N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine

N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine (PubChem CID 158191141) has the molecular formula C46H39Cl3F3N13O and a molecular weight of 953.26 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine.

Molecular Properties

• Compound Name: N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine
• PubChem CID: 158191141
• Molecular Formula: C46H39Cl3F3N13O
• Molecular Weight: 953.26 g/mol
• Exact Mass: 951.24
• IUPAC Name: N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine
• SMILES: COc1cccc(Nc2ncc(F)c(Nc3ccc4[nH]c(C)cc4c3)n2)c1.Cc1cc2cc(N)ccc2[nH]1.Cc1cc2cc(Nc3nc(Cl)ncc3F)ccc2[nH]1.Fc1cnc(Cl)nc1Cl
• InChI: InChI=1S/C20H18FN5O.C13H10ClFN4.C9H10N2.C4HCl2FN2/c1-12-8-13-9-15(6-7-18(13)23-12)24-19-17(21)11-22-20(26-19)25-14-4-3-5-16(10-14)27-2;1-7-4-8-5-9(2-3-11(8)17-7)18-12-10(15)6-16-13(14)19-12;1-6-4-7-5-8(10)2-3-9(7)11-6;5-3-2(7)1-8-4(6)9-3/h3-11,23H,1-2H3,(H2,22,24,25,26);2-6,17H,1H3,(H,16,18,19);2-5,11H,10H2,1H3;1H
• InChIKey: FZTOHGGMBHGQEK-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 196.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	953.26
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine?

The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine (CID 158191141) is N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine.

What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine?

The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine is COc1cccc(Nc2ncc(F)c(Nc3ccc4[nH]c(C)cc4c3)n2)c1.Cc1cc2cc(N)ccc2[nH]1.Cc1cc2cc(Nc3nc(Cl)ncc3F)ccc2[nH]1.Fc1cnc(Cl)nc1Cl.

What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine?

The InChIKey is FZTOHGGMBHGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O.C13H10ClFN4.C9H10N2.C4HCl2FN2/c1-12-8-13-9-15(6-7-18(13)23-12)24-19-17(21)11-22-20(26-19)25-14-4-3-5-16(10-14)27-2;1-7-4-8-5-9(2-3-11(8)17-7)18-12-10(15)6-16-13(14)19-12;1-6-4-7-5-8(10)2-3-9(7)11-6;5-3-2(7)1-8-4(6)9-3/h3-11,23H,1-2H3,(H2,22,24,25,26);2-6,17H,1H3,(H,16,18,19);2-5,11H,10H2,1H3;1H.

What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine?

N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine has a molecular weight of 953.26 g/mol, XLogP of 12.68, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloro-5-fluoropyrimidine;5-fluoro-2-N-(3-methoxyphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;2-methyl-1H-indol-5-amine is sourced from PubChem (CID 158191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).