3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione

C13H10BrClN2O2 — CID 91005837

IUPAC3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(C2CC2)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C13H10BrClN2O2/c14-8-3-5-9(6-4-8)17-12(18)10(7-1-2-7)11(15)16-13(17)19/h3-7H,1-2H2,(H,16,19)
InChIKeyBZPROZASKGRQDY-UHFFFAOYSA-N
MW341.59 g/mol
LogP2.82
Rot. Bonds2

About 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione

3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione (PubChem CID 91005837) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione
PubChem CID91005837
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(C2CC2)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C13H10BrClN2O2/c14-8-3-5-9(6-4-8)17-12(18)10(7-1-2-7)11(15)16-13(17)19/h3-7H,1-2H2,(H,16,19)
InChIKeyBZPROZASKGRQDY-UHFFFAOYSA-N
XLogP2.82
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione (CID 91005837) is 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(C2CC2)c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione?
The InChIKey is BZPROZASKGRQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c14-8-3-5-9(6-4-8)17-12(18)10(7-1-2-7)11(15)16-13(17)19/h3-7H,1-2H2,(H,16,19).
What are the key properties of 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione?
3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione has a molecular weight of 341.59 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-chloro-5-cyclopropyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91005837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).