N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile

C99H87BrN24O10S — CID 159371693

IUPACN-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile
SMILESBrc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccncc4)c3n2)c1.COc1ccc(C)c(Nc2ncc3ccn(-c4nccs4)c3n2)c1
InChIInChI=1S/C24H24N4O5.C22H19N5O3.C19H17N5O.C17H12BrN5.C17H15N5OS/c1-30-19-12-17(13-20(31-2)22(19)33-4)26-24-25-14-16-8-9-28(23(16)27-24)18-7-5-6-15(10-18)11-21(29)32-3;1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23;1-13-3-4-16(25-2)11-17(13)22-19-21-12-14-7-10-24(18(14)23-19)15-5-8-20-9-6-15;18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15;1-11-3-4-13(23-2)9-14(11)20-16-19-10-12-5-7-22(15(12)21-16)17-18-6-8-24-17/h5-10,12-14H,11H2,1-4H3,(H,25,26,27);4-11,13H,1-3H3,(H,24,25,26);3-12H,1-2H3,(H,21,22,23);1-11H,(H,20,21,22);3-10H,1-2H3,(H,19,20,21)
InChIKeyLJVDIQDTXAYMOR-UHFFFAOYSA-N
MW1884.91 g/mol
LogP20.10
Rot. Bonds25

About N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile

N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile (PubChem CID 159371693) has the molecular formula C99H87BrN24O10S and a molecular weight of 1884.91 g/mol. Its IUPAC name is N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound NameN-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile
PubChem CID159371693
Molecular FormulaC99H87BrN24O10S
Molecular Weight1884.91 g/mol
Exact Mass1882.59
IUPAC NameN-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile
SMILESBrc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccncc4)c3n2)c1.COc1ccc(C)c(Nc2ncc3ccn(-c4nccs4)c3n2)c1
InChIInChI=1S/C24H24N4O5.C22H19N5O3.C19H17N5O.C17H12BrN5.C17H15N5OS/c1-30-19-12-17(13-20(31-2)22(19)33-4)26-24-25-14-16-8-9-28(23(16)27-24)18-7-5-6-15(10-18)11-21(29)32-3;1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23;1-13-3-4-16(25-2)11-17(13)22-19-21-12-14-7-10-24(18(14)23-19)15-5-8-20-9-6-15;18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15;1-11-3-4-13(23-2)9-14(11)20-16-19-10-12-5-7-22(15(12)21-16)17-18-6-8-24-17/h5-10,12-14H,11H2,1-4H3,(H,25,26,27);4-11,13H,1-3H3,(H,24,25,26);3-12H,1-2H3,(H,21,22,23);1-11H,(H,20,21,22);3-10H,1-2H3,(H,19,20,21)
InChIKeyLJVDIQDTXAYMOR-UHFFFAOYSA-N
XLogP20.10
TPSA376.30 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.91
LogP ≤ 520.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile with MolForge

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Related Compounds

2-amino-5-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid;N,N-dimethyl-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;methyl 4-oxo-4-[6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]butanoate;7-(1,3-thiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]propan-1-one
CID 159200977
N-[5-(cyclopropylmethoxy)-2-methylphenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(3-hydroxypropyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(5-methoxy-2-methylphenyl)-7-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 161329845

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?
The IUPAC name of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile (CID 159371693) is N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile is Brc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccncc4)c3n2)c1.COc1ccc(C)c(Nc2ncc3ccn(-c4nccs4)c3n2)c1.
What is the InChIKey of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?
The InChIKey is LJVDIQDTXAYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5.C22H19N5O3.C19H17N5O.C17H12BrN5.C17H15N5OS/c1-30-19-12-17(13-20(31-2)22(19)33-4)26-24-25-14-16-8-9-28(23(16)27-24)18-7-5-6-15(10-18)11-21(29)32-3;1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23;1-13-3-4-16(25-2)11-17(13)22-19-21-12-14-7-10-24(18(14)23-19)15-5-8-20-9-6-15;18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15;1-11-3-4-13(23-2)9-14(11)20-16-19-10-12-5-7-22(15(12)21-16)17-18-6-8-24-17/h5-10,12-14H,11H2,1-4H3,(H,25,26,27);4-11,13H,1-3H3,(H,24,25,26);3-12H,1-2H3,(H,21,22,23);1-11H,(H,20,21,22);3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile?
N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile has a molecular weight of 1884.91 g/mol, XLogP of 20.10, 25 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(5-methoxy-2-methylphenyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 159371693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).