N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C22H22N4O3 — CID 73451559

IUPACN-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)C2=CN(C)C3C(=O)N(c4ccccc4)C(=O)NC23)c(C)c1
InChIInChI=1S/C22H22N4O3/c1-13-9-10-17(14(2)11-13)23-20(27)16-12-25(3)19-18(16)24-22(29)26(21(19)28)15-7-5-4-6-8-15/h4-12,18-19H,1-3H3,(H,23,27)(H,24,29)
InChIKeyYDGZYQUNHOQUKX-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.56
Rot. Bonds3

About N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 73451559) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID73451559
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)C2=CN(C)C3C(=O)N(c4ccccc4)C(=O)NC23)c(C)c1
InChIInChI=1S/C22H22N4O3/c1-13-9-10-17(14(2)11-13)23-20(27)16-12-25(3)19-18(16)24-22(29)26(21(19)28)15-7-5-4-6-8-15/h4-12,18-19H,1-3H3,(H,23,27)(H,24,29)
InChIKeyYDGZYQUNHOQUKX-UHFFFAOYSA-N
XLogP2.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-methyl-3-(4-methylphenyl)-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 74753806
N-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 73451607
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168516541
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 73451559) is N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(NC(=O)C2=CN(C)C3C(=O)N(c4ccccc4)C(=O)NC23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is YDGZYQUNHOQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-9-10-17(14(2)11-13)23-20(27)16-12-25(3)19-18(16)24-22(29)26(21(19)28)15-7-5-4-6-8-15/h4-12,18-19H,1-3H3,(H,23,27)(H,24,29).
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?
N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methyl-2,4-dioxo-3-phenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 73451559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).