5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one

C13H9BrCl2N2O — CID 136877795

IUPAC5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2Cl)nc(C2CC2)c1Br
InChIInChI=1S/C13H9BrCl2N2O/c14-10-11(6-1-2-6)17-12(18-13(10)19)8-5-7(15)3-4-9(8)16/h3-6H,1-2H2,(H,17,18,19)
InChIKeyFNWSJLQJFIEXRG-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.38
Rot. Bonds2

About 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one

5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 136877795) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID136877795
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC Name5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2Cl)nc(C2CC2)c1Br
InChIInChI=1S/C13H9BrCl2N2O/c14-10-11(6-1-2-6)17-12(18-13(10)19)8-5-7(15)3-4-9(8)16/h3-6H,1-2H2,(H,17,18,19)
InChIKeyFNWSJLQJFIEXRG-UHFFFAOYSA-N
XLogP4.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136877789
5-bromo-4-cyclopropyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813643
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
2-(2-bromo-3,4-difluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136920021
5-bromo-2-(4-bromo-3-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730044
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
5-bromo-4-cyclopentyl-2-(3-fluoro-4-hydroxyphenyl)-1H-pyrimidin-6-one
CID 136813651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one (CID 136877795) is 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(Cl)ccc2Cl)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is FNWSJLQJFIEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c14-10-11(6-1-2-6)17-12(18-13(10)19)8-5-7(15)3-4-9(8)16/h3-6H,1-2H2,(H,17,18,19).
What are the key properties of 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 360.04 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-2-(2,5-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136877795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).