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

C19H15N3O3 — CID 16766823

IUPAC5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C19H15N3O3/c1-25-13-9-7-11(8-10-13)14-15-17(21-19(24)22-18(15)23)20-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H3,20,21,22,23,24)
InChIKeyGWHYQRIWNUDUOR-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.89
Rot. Bonds3

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

5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 16766823) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID16766823
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C19H15N3O3/c1-25-13-9-7-11(8-10-13)14-15-17(21-19(24)22-18(15)23)20-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H3,20,21,22,23,24)
InChIKeyGWHYQRIWNUDUOR-UHFFFAOYSA-N
XLogP2.89
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 16766823) is 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2c(-c3ccccc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GWHYQRIWNUDUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-25-13-9-7-11(8-10-13)14-15-17(21-19(24)22-18(15)23)20-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H3,20,21,22,23,24).
What are the key properties of 5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-6-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 333.35 g/mol, XLogP of 2.89, 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-phenyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16766823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).