N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine

C130H115BrClFN24O4 — CID 158558938

IUPACN-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCOC(=O)Cc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccccc1Cc1nccc(Nc2ccc3[nH]c(C)cc3c2)n1.Cc1cc2cc(Nc3ccnc(Cc4ccc(F)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Br)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C26H22N4O.C23H22N4O2.C21H20N4O.C20H17BrN4.C20H17ClN4.C20H17FN4/c1-18-15-20-17-21(9-12-24(20)28-18)29-25-13-14-27-26(30-25)16-19-7-10-23(11-8-19)31-22-5-3-2-4-6-22;1-15-11-18-14-19(7-8-20(18)25-15)26-21-9-10-24-22(27-21)12-16-3-5-17(6-4-16)13-23(28)29-2;1-14-11-16-12-17(7-8-18(16)23-14)24-20-9-10-22-21(25-20)13-15-5-3-4-6-19(15)26-2;2*1-13-10-15-11-16(6-7-18(15)23-13)24-19-8-9-22-20(25-19)12-14-4-2-3-5-17(14)21;1-13-10-15-12-17(6-7-18(15)23-13)24-19-8-9-22-20(25-19)11-14-2-4-16(21)5-3-14/h2-15,17,28H,16H2,1H3,(H,27,29,30);3-11,14,25H,12-13H2,1-2H3,(H,24,26,27);3-12,23H,13H2,1-2H3,(H,22,24,25);2*2-11,23H,12H2,1H3,(H,22,24,25);2-10,12,23H,11H2,1H3,(H,22,24,25)
InChIKeyHQQHQMSGWSYVDA-UHFFFAOYSA-N
MW2211.87 g/mol
LogP30.68
Rot. Bonds29

About N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine

N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine (PubChem CID 158558938) has the molecular formula C130H115BrClFN24O4 and a molecular weight of 2211.87 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
PubChem CID158558938
Molecular FormulaC130H115BrClFN24O4
Molecular Weight2211.87 g/mol
Exact Mass2208.84
IUPAC NameN-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
SMILESCOC(=O)Cc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccccc1Cc1nccc(Nc2ccc3[nH]c(C)cc3c2)n1.Cc1cc2cc(Nc3ccnc(Cc4ccc(F)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Br)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1
InChIInChI=1S/C26H22N4O.C23H22N4O2.C21H20N4O.C20H17BrN4.C20H17ClN4.C20H17FN4/c1-18-15-20-17-21(9-12-24(20)28-18)29-25-13-14-27-26(30-25)16-19-7-10-23(11-8-19)31-22-5-3-2-4-6-22;1-15-11-18-14-19(7-8-20(18)25-15)26-21-9-10-24-22(27-21)12-16-3-5-17(6-4-16)13-23(28)29-2;1-14-11-16-12-17(7-8-18(16)23-14)24-20-9-10-22-21(25-20)13-15-5-3-4-6-19(15)26-2;2*1-13-10-15-11-16(6-7-18(15)23-13)24-19-8-9-22-20(25-19)12-14-4-2-3-5-17(14)21;1-13-10-15-12-17(6-7-18(15)23-13)24-19-8-9-22-20(25-19)11-14-2-4-16(21)5-3-14/h2-15,17,28H,16H2,1H3,(H,27,29,30);3-11,14,25H,12-13H2,1-2H3,(H,24,26,27);3-12,23H,13H2,1-2H3,(H,22,24,25);2*2-11,23H,12H2,1H3,(H,22,24,25);2-10,12,23H,11H2,1H3,(H,22,24,25)
InChIKeyHQQHQMSGWSYVDA-UHFFFAOYSA-N
XLogP30.68
TPSA366.36 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002211.87
LogP ≤ 530.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine with MolForge

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;N-[2-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine;4-fluoro-2-methyl-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 161036256
N-[2-(3H-benzimidazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-(1H-indazol-5-ylmethyl)pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine
CID 160545126

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The IUPAC name of N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine (CID 158558938) is N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine is COC(=O)Cc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3)n2)cc1.COc1ccccc1Cc1nccc(Nc2ccc3[nH]c(C)cc3c2)n1.Cc1cc2cc(Nc3ccnc(Cc4ccc(F)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccc(Oc5ccccc5)cc4)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Br)n3)ccc2[nH]1.Cc1cc2cc(Nc3ccnc(Cc4ccccc4Cl)n3)ccc2[nH]1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
The InChIKey is HQQHQMSGWSYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O.C23H22N4O2.C21H20N4O.C20H17BrN4.C20H17ClN4.C20H17FN4/c1-18-15-20-17-21(9-12-24(20)28-18)29-25-13-14-27-26(30-25)16-19-7-10-23(11-8-19)31-22-5-3-2-4-6-22;1-15-11-18-14-19(7-8-20(18)25-15)26-21-9-10-24-22(27-21)12-16-3-5-17(6-4-16)13-23(28)29-2;1-14-11-16-12-17(7-8-18(16)23-14)24-20-9-10-22-21(25-20)13-15-5-3-4-6-19(15)26-2;2*1-13-10-15-11-16(6-7-18(15)23-13)24-19-8-9-22-20(25-19)12-14-4-2-3-5-17(14)21;1-13-10-15-12-17(6-7-18(15)23-13)24-19-8-9-22-20(25-19)11-14-2-4-16(21)5-3-14/h2-15,17,28H,16H2,1H3,(H,27,29,30);3-11,14,25H,12-13H2,1-2H3,(H,24,26,27);3-12,23H,13H2,1-2H3,(H,22,24,25);2*2-11,23H,12H2,1H3,(H,22,24,25);2-10,12,23H,11H2,1H3,(H,22,24,25).
What are the key properties of N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine?
N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine has a molecular weight of 2211.87 g/mol, XLogP of 30.68, 29 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;N-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]phenyl]acetate;2-methyl-N-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 158558938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).