6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

C22H18N4O5 — CID 50751574

IUPAC6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C22H18N4O5/c1-30-10-7-8-14(31-2)12(9-10)18-16(17-19(24-18)25-22(29)26-21(17)28)15-11-5-3-4-6-13(11)23-20(15)27/h3-9,15H,1-2H3,(H,23,27)(H3,24,25,26,28,29)
InChIKeyRJLROCJRYBETKD-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.31
Rot. Bonds4

About 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 50751574) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID50751574
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC Name6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(OC)c(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2C2C(=O)Nc3ccccc32)c1
InChIInChI=1S/C22H18N4O5/c1-30-10-7-8-14(31-2)12(9-10)18-16(17-19(24-18)25-22(29)26-21(17)28)15-11-5-3-4-6-13(11)23-20(15)27/h3-9,15H,1-2H3,(H,23,27)(H3,24,25,26,28,29)
InChIKeyRJLROCJRYBETKD-UHFFFAOYSA-N
XLogP2.31
TPSA129.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047630
6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047605
6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047648
6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047627
6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751517
5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766823
6-(2-chlorophenyl)-1-methyl-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251452
methyl 2-methyl-4-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 39377503
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
(5S)-5-(2,5-dimethoxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 7446539
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766751
(3S)-3-ethyl-7-methoxy-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 125441566

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 50751574) is 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(OC)c(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2C2C(=O)Nc3ccccc32)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RJLROCJRYBETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c1-30-10-7-8-14(31-2)12(9-10)18-16(17-19(24-18)25-22(29)26-21(17)28)15-11-5-3-4-6-13(11)23-20(15)27/h3-9,15H,1-2H3,(H,23,27)(H3,24,25,26,28,29).
What are the key properties of 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 418.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 50751574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).