6-(3-bromoanilino)-1H-pyrimidine-2,4-dione

C10H8BrN3O2 — CID 810824

IUPAC6-(3-bromoanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2cccc(Br)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
InChIKeyCFLHCISOVMSSHJ-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.57
Rot. Bonds2

About 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione

6-(3-bromoanilino)-1H-pyrimidine-2,4-dione (PubChem CID 810824) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-bromoanilino)-1H-pyrimidine-2,4-dione
PubChem CID810824
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name6-(3-bromoanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2cccc(Br)c2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
InChIKeyCFLHCISOVMSSHJ-UHFFFAOYSA-N
XLogP1.57
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione (CID 810824) is 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione is O=c1cc(Nc2cccc(Br)c2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is CFLHCISOVMSSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16).
What are the key properties of 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione?
6-(3-bromoanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 282.10 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 810824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).