5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

C20H17N3O3 — CID 50813593

IUPAC5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C20H17N3O3/c1-11-3-5-13(6-4-11)17-15(12-7-9-14(26-2)10-8-12)16-18(21-17)22-20(25)23-19(16)24/h3-10H,1-2H3,(H3,21,22,23,24,25)
InChIKeyKETQSPHZYYMOHE-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.20
Rot. Bonds3

About 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 50813593) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID50813593
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C20H17N3O3/c1-11-3-5-13(6-4-11)17-15(12-7-9-14(26-2)10-8-12)16-18(21-17)22-20(25)23-19(16)24/h3-10H,1-2H3,(H3,21,22,23,24,25)
InChIKeyKETQSPHZYYMOHE-UHFFFAOYSA-N
XLogP3.20
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766823
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766751
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
CID 10308352
1-(113C)methoxy-4-methylbenzene
CID 166176950
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-2,6-dihydro-2,6-naphthyridine-1,5-dione
CID 126682549
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 50813593) is 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2c(-c3ccc(C)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KETQSPHZYYMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-11-3-5-13(6-4-11)17-15(12-7-9-14(26-2)10-8-12)16-18(21-17)22-20(25)23-19(16)24/h3-10H,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 50813593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).