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

C19H14FN3O3 — CID 16766751

IUPAC6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C19H14FN3O3/c1-26-13-8-4-10(5-9-13)14-15-17(22-19(25)23-18(15)24)21-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H3,21,22,23,24,25)
InChIKeyRQQJTLPGKMAPKB-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.03
Rot. Bonds3

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

6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 16766751) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID16766751
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1
InChIInChI=1S/C19H14FN3O3/c1-26-13-8-4-10(5-9-13)14-15-17(22-19(25)23-18(15)24)21-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H3,21,22,23,24,25)
InChIKeyRQQJTLPGKMAPKB-UHFFFAOYSA-N
XLogP3.03
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 16766751) is 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RQQJTLPGKMAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-26-13-8-4-10(5-9-13)14-15-17(22-19(25)23-18(15)24)21-16(14)11-2-6-12(20)7-3-11/h2-9H,1H3,(H3,21,22,23,24,25).
What are the key properties of 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione?
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 351.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16766751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).