3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine

C29H28N4O2 — CID 51035478

IUPAC3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccc(OC)cc3)c2ncn1CCOC
InChIInChI=1S/C29H28N4O2/c1-34-18-17-32-20-31-29-26(28(32)30)25(22-9-5-3-6-10-22)27(23-11-7-4-8-12-23)33(29)19-21-13-15-24(35-2)16-14-21/h3-16,20,30H,17-19H2,1-2H3/b30-28-
InChIKeyNQOPYWGRGWIJIM-HYOGKJQXSA-N
MW464.57 g/mol
LogP5.35
Rot. Bonds8

About 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine

3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (PubChem CID 51035478) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
PubChem CID51035478
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccc(OC)cc3)c2ncn1CCOC
InChIInChI=1S/C29H28N4O2/c1-34-18-17-32-20-31-29-26(28(32)30)25(22-9-5-3-6-10-22)27(23-11-7-4-8-12-23)33(29)19-21-13-15-24(35-2)16-14-21/h3-16,20,30H,17-19H2,1-2H3/b30-28-
InChIKeyNQOPYWGRGWIJIM-HYOGKJQXSA-N
XLogP5.35
TPSA65.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine with MolForge

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Related Compounds

7-benzyl-3-cyclohexyl-5,6-bis(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-imine
CID 138739569
7-benzyl-6-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59536508
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 42862787
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3577760
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
11-[(4-methoxyphenyl)methyl]-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496542
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
4-[(4-methoxyphenyl)methyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-imine
CID 23886015
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
17-[2-(4-methoxyphenyl)ethyl]-13-[(4-methylphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 4252721
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
cis-(1S,2R)-2-[[7-[2-(3,3-dimethylcyclopenta-1,4-dien-1-yl)ethyl]-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl]methyl]cyclohexan-1-ol
CID 135279281

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The IUPAC name of 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine (CID 51035478) is 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The canonical SMILES for 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is [H]/N=c1/c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccc(OC)cc3)c2ncn1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
The InChIKey is NQOPYWGRGWIJIM-HYOGKJQXSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-34-18-17-32-20-31-29-26(28(32)30)25(22-9-5-3-6-10-22)27(23-11-7-4-8-12-23)33(29)19-21-13-15-24(35-2)16-14-21/h3-16,20,30H,17-19H2,1-2H3/b30-28-.
What are the key properties of 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine?
3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine has a molecular weight of 464.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-[(4-methoxyphenyl)methyl]-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine is sourced from PubChem (CID 51035478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).