5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

C19H15BrN4O2 — CID 18524051

IUPAC5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Br)cc3)n(-c3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C19H15BrN4O2/c1-22-14-11-24(15-5-3-4-10-21-15)17(12-6-8-13(20)9-7-12)16(14)18(25)23(2)19(22)26/h3-11H,1-2H3
InChIKeyBDKGEPSXJPYNCK-UHFFFAOYSA-N
MW411.26 g/mol
LogP2.85
Rot. Bonds2

About 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 18524051) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID18524051
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(Br)cc3)n(-c3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C19H15BrN4O2/c1-22-14-11-24(15-5-3-4-10-21-15)17(12-6-8-13(20)9-7-12)16(14)18(25)23(2)19(22)26/h3-11H,1-2H3
InChIKeyBDKGEPSXJPYNCK-UHFFFAOYSA-N
XLogP2.85
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 18524051) is 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccc(Br)cc3)n(-c3ccccn3)cc2n(C)c1=O.
What is the InChIKey of 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is BDKGEPSXJPYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-22-14-11-24(15-5-3-4-10-21-15)17(12-6-8-13(20)9-7-12)16(14)18(25)23(2)19(22)26/h3-11H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 411.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,3-dimethyl-6-pyridin-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18524051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).