2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C22H20N4O4 — CID 46335295

IUPAC2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)cc1
InChIInChI=1S/C22H20N4O4/c1-30-16-9-7-14(8-10-16)11-23-18(27)13-26-21(28)20-19(25-22(26)29)17(12-24-20)15-5-3-2-4-6-15/h2-10,12,24H,11,13H2,1H3,(H,23,27)(H,25,29)
InChIKeyIJHHWQQXEYNSSB-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.01
Rot. Bonds6

About 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 46335295) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID46335295
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)cc1
InChIInChI=1S/C22H20N4O4/c1-30-16-9-7-14(8-10-16)11-23-18(27)13-26-21(28)20-19(25-22(26)29)17(12-24-20)15-5-3-2-4-6-15/h2-10,12,24H,11,13H2,1H3,(H,23,27)(H,25,29)
InChIKeyIJHHWQQXEYNSSB-UHFFFAOYSA-N
XLogP2.01
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(2-fluorophenyl)-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45498936
N-benzyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide
CID 126458339
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-benzyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxamide
CID 175532079
3-benzyl-N-[(4-methoxyphenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568390
N-(2-methoxyphenyl)-2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 98485301
2-[3-[2-(benzylamino)-2-oxoethyl]-2,4,8-trioxo-6-phenyl-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 10746338
N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide
CID 101437615
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 46335295) is 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2c(=O)[nH]c3c(-c4ccccc4)c[nH]c3c2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is IJHHWQQXEYNSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-30-16-9-7-14(8-10-16)11-23-18(27)13-26-21(28)20-19(25-22(26)29)17(12-24-20)15-5-3-2-4-6-15/h2-10,12,24H,11,13H2,1H3,(H,23,27)(H,25,29).
What are the key properties of 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46335295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).