N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide

C24H23ClN4O2 — CID 95920144

IUPACN-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cnc2c(-c3ccc(Cl)cc3)cn(C)c2c1=O
InChIInChI=1S/C24H23ClN4O2/c1-3-28(13-17-7-5-4-6-8-17)21(30)15-29-16-26-22-20(14-27(2)23(22)24(29)31)18-9-11-19(25)12-10-18/h4-12,14,16H,3,13,15H2,1-2H3
InChIKeyLAUYQVYLCRWCRP-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.10
Rot. Bonds6

About N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide

N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide (PubChem CID 95920144) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide
PubChem CID95920144
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cnc2c(-c3ccc(Cl)cc3)cn(C)c2c1=O
InChIInChI=1S/C24H23ClN4O2/c1-3-28(13-17-7-5-4-6-8-17)21(30)15-29-16-26-22-20(14-27(2)23(22)24(29)31)18-9-11-19(25)12-10-18/h4-12,14,16H,3,13,15H2,1-2H3
InChIKeyLAUYQVYLCRWCRP-UHFFFAOYSA-N
XLogP4.10
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-7-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-one
CID 95920139
2-(5-methyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-3-yl)acetic acid
CID 95916394
N-(2-chlorophenyl)-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363815
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
CID 51363834
N-benzyl-N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 32789194
2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95920151
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
N-benzyl-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-ethylacetamide
CID 7997418
2-(3-butyl-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 53002923
N-benzyl-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 53024007
N-benzyl-N-ethyl-2-(6-hydroxy-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 177088797
5-benzyl-3-butyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one
CID 95919981

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide (CID 95920144) is N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1cnc2c(-c3ccc(Cl)cc3)cn(C)c2c1=O.
What is the InChIKey of N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide?
The InChIKey is LAUYQVYLCRWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-3-28(13-17-7-5-4-6-8-17)21(30)15-29-16-26-22-20(14-27(2)23(22)24(29)31)18-9-11-19(25)12-10-18/h4-12,14,16H,3,13,15H2,1-2H3.
What are the key properties of N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide?
N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide has a molecular weight of 434.93 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[7-(4-chlorophenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]-N-ethylacetamide is sourced from PubChem (CID 95920144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).