7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

C11H6Br2N2O3 — CID 23457422

IUPAC7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)Cc1cc(Br)cc(Br)c1O2
InChIInChI=1S/C11H6Br2N2O3/c12-5-1-4-2-6-9(16)14-11(17)15-10(6)18-8(4)7(13)3-5/h1,3H,2H2,(H2,14,15,16,17)
InChIKeyFRZLQFHCVJWOKD-UHFFFAOYSA-N
MW373.99 g/mol
LogP2.28
Rot. Bonds

About 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 23457422) has the molecular formula C11H6Br2N2O3 and a molecular weight of 373.99 g/mol. Its IUPAC name is 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID23457422
Molecular FormulaC11H6Br2N2O3
Molecular Weight373.99 g/mol
Exact Mass371.87
IUPAC Name7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)Cc1cc(Br)cc(Br)c1O2
InChIInChI=1S/C11H6Br2N2O3/c12-5-1-4-2-6-9(16)14-11(17)15-10(6)18-8(4)7(13)3-5/h1,3H,2H2,(H2,14,15,16,17)
InChIKeyFRZLQFHCVJWOKD-UHFFFAOYSA-N
XLogP2.28
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.99
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
CID 12693917
5-bromo-7-fluoro-3H-1-benzofuran-2-one
CID 159399990
N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457492
N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457364
2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 70568243
2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457470
7,8-dimethyl-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 20564192
5,13-bis(sulfanylidene)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione
CID 2332846
6,8-dibromo-3-(4-methylphenyl)-4H-1,3-benzoxazine-2-thione
CID 23251264
6-bromo-8-fluoro-3,4-dihydro-1,2λ6,3-benzoxathiazine 2,2-dioxide
CID 166172796
5,7-dibromo-6-hydroxy-3H-1-benzofuran-2-one
CID 14159167
5-[(R)-(3,5-dibromo-2-hydroxyphenyl)-hydroxymethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 1104435

Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (CID 23457422) is 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)Cc1cc(Br)cc(Br)c1O2.
What is the InChIKey of 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FRZLQFHCVJWOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O3/c12-5-1-4-2-6-9(16)14-11(17)15-10(6)18-8(4)7(13)3-5/h1,3H,2H2,(H2,14,15,16,17).
What are the key properties of 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 373.99 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dibromo-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23457422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).