N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide

C24H23BrN4O3 — CID 20932051

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O
InChIInChI=1S/C24H23BrN4O3/c1-15-16(2)29(19-7-5-4-6-8-19)23-22(15)24(31)28(14-27-23)13-21(30)26-12-17-11-18(25)9-10-20(17)32-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyLPBLPKKSXMMRMB-UHFFFAOYSA-N
MW495.38 g/mol
LogP3.89
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 20932051) has the molecular formula C24H23BrN4O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID20932051
Molecular FormulaC24H23BrN4O3
Molecular Weight495.38 g/mol
Exact Mass494.10
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc(Br)cc1CNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O
InChIInChI=1S/C24H23BrN4O3/c1-15-16(2)29(19-7-5-4-6-8-19)23-22(15)24(31)28(14-27-23)13-21(30)26-12-17-11-18(25)9-10-20(17)32-3/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyLPBLPKKSXMMRMB-UHFFFAOYSA-N
XLogP3.89
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
CID 20932094
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086684
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-propylacetamide
CID 20932013
2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20932081
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 20931996
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 20932054
5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 20932007
N-[(2,5-dimethoxyphenyl)methyl]-2-(3-methyl-4-oxo-1-phenylpyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 50839728
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 30849331
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 20932114
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide (CID 20932051) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide is COc1ccc(Br)cc1CNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccccc2)c1=O.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is LPBLPKKSXMMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O3/c1-15-16(2)29(19-7-5-4-6-8-19)23-22(15)24(31)28(14-27-23)13-21(30)26-12-17-11-18(25)9-10-20(17)32-3/h4-11,14H,12-13H2,1-3H3,(H,26,30).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 495.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 20932051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).