N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 158816412) has the molecular formula C111H99N33O8 and a molecular weight of 2023.24 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name	N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID	158816412
Molecular Formula	C111H99N33O8
Molecular Weight	2023.24 g/mol
Exact Mass	2021.84
IUPAC Name	N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILES	COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nn[nH]n5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nnnn5C)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(C)cn4)c3n2)c1.COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChI	InChI=1S/C26H19N7.C24H24N8O3.C23H22N8O3.C20H19N5O.C18H15N5O/c1-17-9-10-18(23-16-28-20-6-2-3-7-21(20)30-23)14-22(17)31-26-29-15-19-11-13-33(25(19)32-26)24-8-4-5-12-27-24;1-31-21(28-29-30-31)11-15-6-5-7-18(10-15)32-9-8-16-14-25-24(27-23(16)32)26-17-12-19(33-2)22(35-4)20(13-17)34-3;1-32-18-11-16(12-19(33-2)21(18)34-3)25-23-24-13-15-7-8-31(22(15)26-23)17-6-4-5-14(9-17)10-20-27-29-30-28-20;1-13-4-7-18(21-11-13)25-9-8-15-12-22-20(24-19(15)25)23-17-10-16(26-3)6-5-14(17)2;1-24-15-7-3-2-6-14(15)21-18-20-12-13-9-11-23(17(13)22-18)16-8-4-5-10-19-16/h2-16H,1H3,(H,29,31,32);5-10,12-14H,11H2,1-4H3,(H,25,26,27);4-9,11-13H,10H2,1-3H3,(H,24,25,26)(H,27,28,29,30);4-12H,1-3H3,(H,22,23,24);2-12H,1H3,(H,20,21,22)
InChIKey	IVICSSHWPYMKTL-UHFFFAOYSA-N
XLogP	19.83
TPSA	450.05 Å²
H-Bond Donors	6
H-Bond Acceptors	40
Rotatable Bonds	28
Heavy Atoms	152
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2023.24
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Analyze N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 158816412) is N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nn[nH]n5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nnnn5C)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(C)cn4)c3n2)c1.COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is IVICSSHWPYMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7.C24H24N8O3.C23H22N8O3.C20H19N5O.C18H15N5O/c1-17-9-10-18(23-16-28-20-6-2-3-7-21(20)30-23)14-22(17)31-26-29-15-19-11-13-33(25(19)32-26)24-8-4-5-12-27-24;1-31-21(28-29-30-31)11-15-6-5-7-18(10-15)32-9-8-16-14-25-24(27-23(16)32)26-17-12-19(33-2)22(35-4)20(13-17)34-3;1-32-18-11-16(12-19(33-2)21(18)34-3)25-23-24-13-15-7-8-31(22(15)26-23)17-6-4-5-14(9-17)10-20-27-29-30-28-20;1-13-4-7-18(21-11-13)25-9-8-15-12-22-20(24-19(15)25)23-17-10-16(26-3)6-5-14(17)2;1-24-15-7-3-2-6-14(15)21-18-20-12-13-9-11-23(17(13)22-18)16-8-4-5-10-19-16/h2-16H,1H3,(H,29,31,32);5-10,12-14H,11H2,1-4H3,(H,25,26,27);4-9,11-13H,10H2,1-3H3,(H,24,25,26)(H,27,28,29,30);4-12H,1-3H3,(H,22,23,24);2-12H,1H3,(H,20,21,22).

What are the key properties of N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

Where does this data come from?

All data for N-(5-methoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2-methyl-5-quinoxalin-2-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-[(1-methyltetrazol-5-yl)methyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(2H-tetrazol-5-ylmethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158816412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).