6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H11Br2N3O5 — CID 102189489

IUPAC6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)c3cc(Br)c(O)c(Br)c3O)cnc2n(C)c1=O
InChIInChI=1S/C16H11Br2N3O5/c1-20-14-8(15(25)21(2)16(20)26)3-6(5-19-14)11(22)7-4-9(17)13(24)10(18)12(7)23/h3-5,23-24H,1-2H3
InChIKeyTVZFZAUOMBNRHP-UHFFFAOYSA-N
MW485.09 g/mol
LogP1.80
Rot. Bonds2

About 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 102189489) has the molecular formula C16H11Br2N3O5 and a molecular weight of 485.09 g/mol. Its IUPAC name is 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID102189489
Molecular FormulaC16H11Br2N3O5
Molecular Weight485.09 g/mol
Exact Mass482.91
IUPAC Name6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)c3cc(Br)c(O)c(Br)c3O)cnc2n(C)c1=O
InChIInChI=1S/C16H11Br2N3O5/c1-20-14-8(15(25)21(2)16(20)26)3-6(5-19-14)11(22)7-4-9(17)13(24)10(18)12(7)23/h3-5,23-24H,1-2H3
InChIKeyTVZFZAUOMBNRHP-UHFFFAOYSA-N
XLogP1.80
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.09
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 102189489) is 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)c3cc(Br)c(O)c(Br)c3O)cnc2n(C)c1=O.
What is the InChIKey of 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is TVZFZAUOMBNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O5/c1-20-14-8(15(25)21(2)16(20)26)3-6(5-19-14)11(22)7-4-9(17)13(24)10(18)12(7)23/h3-5,23-24H,1-2H3.
What are the key properties of 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 485.09 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 102189489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).