N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide

C26H28N4O4 — CID 20932094

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(C)cc3)c2=O)c(OC)c1
InChIInChI=1S/C26H28N4O4/c1-16-6-9-20(10-7-16)30-18(3)17(2)24-25(30)28-15-29(26(24)32)14-23(31)27-13-19-8-11-21(33-4)12-22(19)34-5/h6-12,15H,13-14H2,1-5H3,(H,27,31)
InChIKeyPRXUQCCGGLXWHH-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.45
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 20932094) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID20932094
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(C)cc3)c2=O)c(OC)c1
InChIInChI=1S/C26H28N4O4/c1-16-6-9-20(10-7-16)30-18(3)17(2)24-25(30)28-15-29(26(24)32)14-23(31)27-13-19-8-11-21(33-4)12-22(19)34-5/h6-12,15H,13-14H2,1-5H3,(H,27,31)
InChIKeyPRXUQCCGGLXWHH-UHFFFAOYSA-N
XLogP3.45
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20932081
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 20932051
N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
CID 20932087
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 20932114
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-propylacetamide
CID 20932013
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924646
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46484361
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 20932113
N-[(2-methoxyphenyl)methyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 9353632
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-cycloheptylacetamide
CID 20932106
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide (CID 20932094) is N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide is COc1ccc(CNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccc(C)cc3)c2=O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is PRXUQCCGGLXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-6-9-20(10-7-16)30-18(3)17(2)24-25(30)28-15-29(26(24)32)14-23(31)27-13-19-8-11-21(33-4)12-22(19)34-5/h6-12,15H,13-14H2,1-5H3,(H,27,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 20932094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).